%chk=000003936.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003936

0 1
 S    1.961500       4.098300      2.8000001E-02
 O   0.3575000       2.183600      0.8481000    
 O    2.548400      -3.284200     -0.7074000    
 N    2.271400       1.383100     -0.4021000    
 N    2.412100     -0.9719000     -0.5668000    
 C   -4.839900      -1.142200      0.8775000    
 C   -4.676900      -1.612800     -0.5620000    
 C   -3.482100     -0.7867000       1.480100    
 C   -4.096300     -0.4952000      -1.426500    
 C   -2.639000      7.9999998E-02  0.5784000    
 C   -2.905000      0.1851000     -0.7995000    
 C   -1.530700      0.7497000       1.118800    
 C   -2.078800      0.9870000      -1.601300    
 C  -0.7113000       1.535500      0.3091000    
 C  -0.9865000       1.655900      -1.049700    
 C    1.556700       2.474000      0.1208000    
 C    2.266700      8.3400004E-02  0.2308000    
 C    3.000600       1.508500      -1.670400    
 C    2.112400      8.4200002E-02   1.587200    
 C    2.106800      -1.161300       2.205400    
 C    2.401900      -2.164800      6.9300003E-02
 C    2.253900      -2.312200       1.439200    
 C    2.696800      -3.077200      -2.106900    
 H   -5.316200      -1.924100       1.479600    
 H   -5.501600     -0.2672000      0.9049000    
 H   -5.644100      -1.927900     -0.9692000    
 H   -4.015600      -2.488200     -0.5894000    
 H   -2.923400      -1.709000       1.683200    
 H   -3.644800     -0.2803000       2.439100    
 H   -4.868000      0.2651000      -1.601200    
 H   -3.817100     -0.9135000      -2.400900    
 H   -1.305500      0.6573000       2.179100    
 H   -2.285300       1.095500      -2.663300    
 H  -0.3748000       2.271700      -1.702300    
 H    2.930500       2.513400      -2.091500    
 H    2.573000      0.8159000      -2.402700    
 H    4.053600       1.264900      -1.499100    
 H    2.043000      0.9722000       2.203200    
 H    1.998400      -1.234600       3.283300    
 H    2.253900      -3.290900       1.906400    
 H    1.810400      -2.590700      -2.528000    
 H    2.802000      -4.056600      -2.583000    
 H    3.600000      -2.497300      -2.324700    


%chk=000003936-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003936

0 1
S 0.246415 2.546440 -0.636878
O 0.075749 -0.195956 -0.468469
O 5.719352 -2.390471 -1.197621
N 2.203173 0.651003 -0.326438
N 3.920924 -0.922722 -0.740395
C -5.795321 1.150080 1.367236
C -6.389794 -0.101666 0.684917
C -4.300750 0.927920 1.687702
C -5.693668 -0.349071 -0.671159
C -3.514897 0.340263 0.516675
C -4.169982 -0.285236 -0.583784
C -2.099903 0.400176 0.540086
C -3.386082 -0.836354 -1.628883
C -1.354908 -0.144466 -0.519038
C -1.977855 -0.772342 -1.612749
C 0.857462 0.967068 -0.454732
C 2.729485 -0.677291 -0.119194
C 3.174765 1.763978 -0.483305
C 2.104238 -1.636364 0.711751
C 2.740479 -2.890773 0.872826
C 4.510559 -2.126004 -0.567282
C 3.961526 -3.163066 0.230143
C 6.282474 -1.318197 -2.041301
H -6.345196 1.386717 2.297626
H -5.909763 2.020979 0.691057
H -7.478636 0.018651 0.530070
H -6.249589 -0.979398 1.347621
H -4.218437 0.237689 2.553735
H -3.830723 1.877877 2.006643
H -6.040580 0.418906 -1.394376
H -6.001314 -1.326233 -1.091125
H -1.583869 0.886342 1.374797
H -3.889254 -1.323062 -2.473397
H -1.369955 -1.194724 -2.417859
H 3.042553 2.251037 -1.463641
H 4.185961 1.342943 -0.412248
H 2.999985 2.519722 0.301070
H 1.160195 -1.417599 1.208271
H 2.278584 -3.650226 1.511842
H 4.486715 -4.115105 0.329324
H 5.571965 -1.031167 -2.835139
H 7.196602 -1.757554 -2.466537
H 6.519917 -0.427243 -1.434247


