BASE=BASE,<BASE>,</BASE> 

ZMATRIX=mol1,FREEZM,<ZMAT>,</ZMAT> 
AMPLITUDES=mol1,FREEU,<AMPLITUDES>,</AMPLITUDES> 
GF=mol1,AUTO,0.0500 
INT=INT,<INT>,</INT> 

SMS=1-1,<SMS_L>,</SMS_L> 
SMS=2-1,<SMS_S>,</SMS_S> 

MINIMIZE=GEDINT,1-1,2-1 

PRINT=VIBR,mol1 

STOP 





<BASE> 
 molecules mol1 
 jobname ccl4 
 damp 1.0 
</BASE> 


<mol1> 
 formula CCl4 
</mol1> 




<ZMAT> 
Cl                                       
C    1  R1                               
Cl   2  R1      1  A1                     
Cl   2  R1      1  A1      3  A1      -1 
Cl   2  R1      1  A1      3  A1       1 
  
  Variable:        Value:        Group:
     R1          1.7724            
     A1        109.4712            
</ZMAT> 










<AMPLITUDES>
; 
;A1  A2     Comment       U        Corr         A       G 
; 
C2   Cl1    1.7925     0.04485     0.00      0.00000    3 
C2   Cl3    1.7925     0.04485     0.00      0.00000    3 
C2   Cl4    1.7925     0.04485     0.00      0.00000    3 
C2   Cl5    1.7925     0.04485     0.00      0.00000    3 
Cl1  Cl3    2.9271     0.07844     0.00      0.00000    4 
Cl1  Cl4    2.9271     0.07844     0.00      0.00000    4 
Cl1  Cl5    2.9271     0.07844     0.00      0.00000    4 
Cl3  Cl4    2.9271     0.07844     0.00      0.00000    4 
Cl3  Cl5    2.9271     0.07844     0.00      0.00000    4 
Cl4  Cl5    2.9271     0.07844     0.00      0.00000    4 
</AMPLITUDES>



;---------------------------
; This is simulated sM(s):
; 
; Ra(C-Cl) = 1.7724 
; Ang(Cl-C-Cl) = 109.4712 
; U(C-Cl) = 0.05485 
; U(Cl-Cl) = 0.06844 
; A(C-Cl) = 0.0 
; A(Cl-Cl) = 0.0 
; Lamda = 0.05 
; Scale = 1.0 
;---------------------------
<SMS_L> 
  3.0000   0.1987515501 
  3.2000  -0.1194535386 
  3.4000  -0.4545453665 
  3.6000  -0.6668476554 
  3.8000  -0.6539408935 
  4.0000  -0.3888628227 
  4.2000   0.0671873105 
  4.4000   0.5821530126 
  4.6000   0.9946206639 
  4.8000   1.1662674776 
  5.0000   1.0277453170 
  5.2000   0.6029460278 
  5.4000   0.0035771619 
  5.6000  -0.6043553753 
  5.8000  -1.0513680630 
  6.0000  -1.2163543885 
  6.2000  -1.0629013696 
  6.4000  -0.6487354615 
  6.6000  -0.1055888595 
  6.8000   0.4035742744 
  7.0000   0.7359056260 
  7.2000   0.8121041177 
  7.4000   0.6381654887 
  7.6000   0.2990302350 
  7.8000  -0.0730724274 
  8.0000  -0.3445433505 
  8.2000  -0.4252866450 
  8.4000  -0.2976940942 
  8.6000  -0.0204601527 
  8.8000   0.2934574329 
  9.0000   0.5170108786 
  9.2000   0.5536926622 
  9.4000   0.3715830494 
  9.6000   0.0155417446 
  9.8000  -0.4064796510 
 10.0000  -0.7583690422 
 10.2000  -0.9204792122 
 10.4000  -0.8292469032 
 10.6000  -0.4988229404 
 10.8000  -0.0176781931 
 11.0000   0.4785303285 
 11.2000   0.8489663840 
 11.4000   0.9910042449 
 11.6000   0.8710345756 
 11.8000   0.5332052939 
 12.0000   0.0837648760 
 12.2000  -0.3435270294 
 12.4000  -0.6294780740 
 12.6000  -0.7053416698 
 12.8000  -0.5714543701 
 13.0000  -0.2930965661 
 13.2000   0.0241452024 
 13.4000   0.2708483827 
 13.6000   0.3699455403 
 13.8000   0.3005807797 
 14.0000   0.1023923934 
 14.2000  -0.1404645157 
 14.4000  -0.3298220591 
 14.6000  -0.3879607565 
 14.8000  -0.2843987914 
 15.0000  -0.0463196873 
 15.2000   0.2505324343 
 15.4000   0.5071855137 
 15.6000   0.6343738748 
 15.8000   0.5821858728 
 16.0000   0.3567410983 
 16.2000   0.0186480967 
 16.4000  -0.3359891807 
 16.6000  -0.6056432439 
 16.8000  -0.7147278656 
 17.0000  -0.6362357059 
 17.2000  -0.3986990040 
 17.4000  -0.0757392411 
 17.6000   0.2379751171 
 17.8000   0.4563342788 
 18.0000   0.5274065066 
 18.2000   0.4471677738 
 18.4000   0.2575497870 
</SMS_L> 


<SMS_S>
  9.8000  -0.4064796510 
 10.0000  -0.7583690422 
 10.2000  -0.9204792122 
 10.4000  -0.8292469032 
 10.6000  -0.4988229404 
 10.8000  -0.0176781931 
 11.0000   0.4785303285 
 11.2000   0.8489663840 
 11.4000   0.9910042449 
 11.6000   0.8710345756 
 11.8000   0.5332052939 
 12.0000   0.0837648760 
 12.2000  -0.3435270294 
 12.4000  -0.6294780740 
 12.6000  -0.7053416698 
 12.8000  -0.5714543701 
 13.0000  -0.2930965661 
 13.2000   0.0241452024 
 13.4000   0.2708483827 
 13.6000   0.3699455403 
 13.8000   0.3005807797 
 14.0000   0.1023923934 
 14.2000  -0.1404645157 
 14.4000  -0.3298220591 
 14.6000  -0.3879607565 
 14.8000  -0.2843987914 
 15.0000  -0.0463196873 
 15.2000   0.2505324343 
 15.4000   0.5071855137 
 15.6000   0.6343738748 
 15.8000   0.5821858728 
 16.0000   0.3567410983 
 16.2000   0.0186480967 
 16.4000  -0.3359891807 
 16.6000  -0.6056432439 
 16.8000  -0.7147278656 
 17.0000  -0.6362357059 
 17.2000  -0.3986990040 
 17.4000  -0.0757392411 
 17.6000   0.2379751171 
 17.8000   0.4563342788 
 18.0000   0.5274065066 
 18.2000   0.4471677738 
 18.4000   0.2575497870 
 18.6000   0.0301172109 
 18.8000  -0.1587255584 
 19.0000  -0.2526133945 
 19.2000  -0.2321762429 
 19.4000  -0.1189632797 
 19.6000   0.0343536615 
 19.8000   0.1636980899 
 20.0000   0.2162463504 
 20.2000   0.1684919706 
 20.4000   0.0338259530 
 20.6000  -0.1425387374 
 20.8000  -0.2992437288 
 21.0000  -0.3796111115 
 21.2000  -0.3506779310 
 21.4000  -0.2142095425 
 21.6000  -0.0062695162 
 21.8000   0.2142170660 
 22.0000   0.3840166502 
 22.2000   0.4551664960 
 22.4000   0.4093071856 
 22.6000   0.2624421528 
 22.8000   0.0589361857 
 23.0000  -0.1429370931 
 23.2000  -0.2890491305 
 23.4000  -0.3452916745 
 23.6000  -0.3063932931 
 23.8000  -0.1953297215 
 24.0000  -0.0540504201 
 24.2000   0.0711325612 
 24.4000   0.1444073825 
 24.6000   0.1509392058 
 24.8000   0.0998527761 
 25.0000   0.0191457375 
 25.2000  -0.0552633898 
 25.4000  -0.0924622112 
 25.6000  -0.0770850945 
 25.8000  -0.0140711082 
 26.0000   0.0736513987 
 26.2000   0.1535089771 
 26.4000   0.1946740615 
 26.6000   0.1786155593 
 26.8000   0.1053823610 
 27.0000  -0.0063276205 
 27.2000  -0.1251501300 
 27.4000  -0.2169867009 
 27.6000  -0.2555895129 
 27.8000  -0.2304413918 
 28.0000  -0.1495250540 
 28.2000  -0.0363194885 
 28.4000   0.0777785853 
 28.6000   0.1630663456 
 28.8000   0.2000935227 
 29.0000   0.1845902822 
 29.2000   0.1274641075 
 29.4000   0.0502028959 
 29.6000  -0.0226012528 
 29.8000  -0.0710482355 
 30.0000  -0.0855767627 
 30.2000  -0.0688391325 
 30.4000  -0.0334921566 
 30.6000   0.0030809913 
 30.8000   0.0251804753 
 31.0000   0.0241447530 
 31.2000   0.0009610173 
 31.4000  -0.0345882147 
 31.6000  -0.0677494668 
 31.8000  -0.0841776305 
 32.0000  -0.0750145465 
 32.2000  -0.0399858050 
 32.4000   0.0124394114 
 32.6000   0.0677553405 
 32.8000   0.1100442316 
 33.0000   0.1269621503 
 33.2000   0.1134709340 
 33.4000   0.0732162539 
 33.6000   0.0172027390 
 33.8000  -0.0396966921 
 34.0000  -0.0832109074 
 34.2000  -0.1036973157 
 34.4000  -0.0985414606 
 34.6000  -0.0722814923 
 34.8000  -0.0346204263 
 35.0000   0.0029323908 
 35.2000   0.0306491146 
 35.4000   0.0432324518 
 35.6000   0.0408460142 
 35.8000   0.0283060460 
 36.0000   0.0128803234 
 36.2000   0.0015170870 
 36.4000  -0.0015327204 
 36.6000   0.0040441449 
 36.8000   0.0148411568 
 37.0000   0.0252326081 
 37.2000   0.0295698841 
 37.4000   0.0242908794 
 37.6000   0.0092382452 
 37.8000  -0.0122240205 
 38.0000  -0.0342847249 
 38.2000  -0.0505431018 
 38.4000  -0.0560527931 
 38.6000  -0.0488396675 
 38.8000  -0.0304863652 
 39.0000  -0.0056069047 
 39.2000   0.0195712291 
 39.4000   0.0390270244 
 39.6000   0.0486048212 
 39.8000   0.0470237157 
 40.0000   0.0359775238 
</SMS_S>
 
 
 
<INT>
#---------------------------Intensity---------------------------
#---------------------------------------------------------------
#  s       I(s)      
#---------------------------------------------------------------
INT1   VarSc=0 
 3.000000 0.854927 
 3.200000 0.853378 
 3.400000 0.843744 
 3.600000 0.845387 
 3.800000 0.870688 
 4.000000 0.920801 
 4.200000 0.985932 
 4.400000 1.049179 
 4.600000 1.093171 
 4.800000 1.105932 
 5.000000 1.084539 
 5.200000 1.035870 
 5.400000 0.973724 
 5.600000 0.914567 
 5.800000 0.872543 
 6.000000 0.855524 
 6.200000 0.863450 
 6.400000 0.889255 
 6.600000 0.921790 
 6.800000 0.949375 
 7.000000 0.963210 
 7.200000 0.959776 
 7.400000 0.941245 
 7.600000 0.914168 
 7.800000 0.886943 
 8.000000 0.866998 
 8.200000 0.858561 
 8.400000 0.861581 
 8.600000 0.872130 
 8.800000 0.884007 
 9.000000 0.890992 
 9.200000 0.888945 
 9.400000 0.877032 
 9.600000 0.857984 
 9.800000 0.836940 
 10.000000 0.819714 
 10.200000 0.811062 
 10.400000 0.813049 
 10.600000 0.824458 
 10.800000 0.841284 
 11.000000 0.858032 
 11.200000 0.869406 
 11.400000 0.871985 
 11.600000 0.865056 
 11.800000 0.850710 
 12.000000 0.833011 
 12.200000 0.816562 
 12.400000 0.805266 
 12.600000 0.801086 
 12.800000 0.803638 
 13.000000 0.810519 
 13.200000 0.818184 
 13.400000 0.823219 
 13.600000 0.823502 
 13.800000 0.818696 
 14.000000 0.810174 
 14.200000 0.800496 
 14.400000 0.792478 
 14.600000 0.788179 
 14.800000 0.788213 
 15.000000 0.791629 
 15.200000 0.796310 
 15.400000 0.799605 
 15.600000 0.799354 
 15.800000 0.794540 
 16.000000 0.785531 
 16.200000 0.773951 
 16.400000 0.762182 
 16.600000 0.752626 
 16.800000 0.746901 
 17.000000 0.745384 
 17.200000 0.747240 
 17.400000 0.750747 
 17.600000 0.753786 
 17.800000 0.754573 
 18.000000 0.752194 
 18.200000 0.746716 
 18.400000 0.739069 
INT2   VarSc=0 
  9.800000 0.836940 
 10.000000 0.819714 
 10.200000 0.811062 
 10.400000 0.813049 
 10.600000 0.824458 
 10.800000 0.841284 
 11.000000 0.858032 
 11.200000 0.869406 
 11.400000 0.871985 
 11.600000 0.865056 
 11.800000 0.850710 
 12.000000 0.833011 
 12.200000 0.816562 
 12.400000 0.805266 
 12.600000 0.801086 
 12.800000 0.803638 
 13.000000 0.810519 
 13.200000 0.818184 
 13.400000 0.823219 
 13.600000 0.823502 
 13.800000 0.818696 
 14.000000 0.810174 
 14.200000 0.800496 
 14.400000 0.792478 
 14.600000 0.788179 
 14.800000 0.788213 
 15.000000 0.791629 
 15.200000 0.796310 
 15.400000 0.799605 
 15.600000 0.799354 
 15.800000 0.794540 
 16.000000 0.785531 
 16.200000 0.773951 
 16.400000 0.762182 
 16.600000 0.752626 
 16.800000 0.746901 
 17.000000 0.745384 
 17.200000 0.747240 
 17.400000 0.750747 
 17.600000 0.753786 
 17.800000 0.754573 
 18.000000 0.752194 
 18.200000 0.746716 
 18.400000 0.739069 
 18.600000 0.730761 
 18.800000 0.723334 
 19.000000 0.717837 
 19.200000 0.714524 
 19.400000 0.712876 
 19.600000 0.711920 
 19.800000 0.710476 
 20.000000 0.707575 
 20.200000 0.702907 
 20.400000 0.696810 
 20.600000 0.690104 
 20.800000 0.683781 
 21.000000 0.678756 
 21.200000 0.675628 
 21.400000 0.674218 
 21.600000 0.673823 
 21.800000 0.673527 
 22.000000 0.672420 
 22.200000 0.669771 
 22.400000 0.665413 
 22.600000 0.659608 
 22.800000 0.653062 
 23.000000 0.646697 
 23.200000 0.641217 
 23.400000 0.636976 
 23.600000 0.634125 
 23.800000 0.632286 
 24.000000 0.630744 
 24.200000 0.629031 
 24.400000 0.626670 
 24.600000 0.623423 
 24.800000 0.619470 
 25.000000 0.615244 
 25.200000 0.611122 
 25.400000 0.607481 
 25.600000 0.604527 
 25.800000 0.602175 
 26.000000 0.600106 
 26.200000 0.597952 
 26.400000 0.595377 
 26.600000 0.592183 
 26.800000 0.588400 
 27.000000 0.584261 
 27.200000 0.580101 
 27.400000 0.576284 
 27.600000 0.573084 
 27.800000 0.570583 
 28.000000 0.568667 
 28.200000 0.567089 
 28.400000 0.565530 
 28.600000 0.563691 
 28.800000 0.561391 
 29.000000 0.558607 
 29.200000 0.555465 
 29.400000 0.552184 
 29.600000 0.548989 
 29.800000 0.546058 
 30.000000 0.543469 
 30.200000 0.541192 
 30.400000 0.539119 
 30.600000 0.537077 
 30.800000 0.534919 
 31.000000 0.532586 
 31.200000 0.530096 
 31.400000 0.527539 
 31.600000 0.525032 
 31.800000 0.522697 
 32.000000 0.520605 
 32.200000 0.518734 
 32.400000 0.517033 
 32.600000 0.515371 
 32.800000 0.513618 
 33.000000 0.511690 
 33.200000 0.509544 
 33.400000 0.507234 
 33.600000 0.504833 
 33.800000 0.502450 
 34.000000 0.500211 
 34.200000 0.498166 
 34.400000 0.496319 
 34.600000 0.494657 
 34.800000 0.493105 
 35.000000 0.491554 
 35.200000 0.489947 
 35.400000 0.488266 
 35.600000 0.486499 
 35.800000 0.484682 
 36.000000 0.482877 
 36.200000 0.481108 
 36.400000 0.479431 
 36.600000 0.477829 
 36.800000 0.476268 
 37.000000 0.474729 
 37.200000 0.473176 
 37.400000 0.471579 
 37.600000 0.469940 
 37.800000 0.468278 
 38.000000 0.466631 
 38.200000 0.465047 
 38.400000 0.463551 
 38.600000 0.462143 
 38.800000 0.460814 
 39.000000 0.459543 
 39.200000 0.458292 
 39.400000 0.457015 
 39.600000 0.455702 
 39.800000 0.454343 
 40.000000 0.452939 
#---------------------------Intensity---------------------------#
</INT> 

