%chk=000158507.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158507

1 1
 S    4.061000     -0.1191000      -1.622200    
 O  -0.8712000      0.4525000     -0.7644000    
 N   -5.518400       1.189200     -4.0500000E-02
 N   -1.228300      -2.129200      0.4175000    
 C   2.8200001E-02  -1.693000     -4.9400002E-02
 C   -4.501400      0.4125000      6.3699998E-02
 C    1.157000      -2.545000      6.2300000E-02
 C   0.1793000     -0.4232000     -0.6252000    
 C   -2.109900      3.5000000E-02 -0.3095000    
 C    2.415800      -2.093400     -0.4115000    
 C   -2.231600      -1.316900      0.2947000    
 C   -3.172300      0.8401000     -0.4157000    
 C   -5.404000       2.542000     -0.6437000    
 C   -6.863300      0.7759000      0.4365000    
 C    2.527600     -0.8171000     -0.9814000    
 C    1.417000      1.4400000E-02  -1.088400    
 C   -4.633600     -0.9274000      0.6653000    
 C   -3.572400      -1.730000      0.7707000    
 C    1.087600      -3.836400      0.6291000    
 C    3.542300      -2.926100     -0.3074000    
 C   -5.629000       2.443500      -2.137200    
 C   -7.018300       1.164400       1.891300    
 C    2.217200      -4.651200      0.7249000    
 C    3.443200      -4.196300      0.2570000    
 C    4.220600       1.326400     -0.5906000    
 C    4.315600       1.187000      0.7937000    
 C    4.250400       2.594900      -1.168600    
 C    4.470500       3.587000       1.023300    
 C    4.440600       2.317800       1.600800    
 C    4.375500       3.725600     -0.3615000    
 C    4.604400       4.795900       1.886100    
 H   -3.012000       1.800700     -0.8876000    
 H   -4.467600       3.031500     -0.3656000    
 H   -6.191200       3.164800     -0.2013000    
 H   -7.055900     -0.2809000      0.2362000    
 H   -7.604400       1.318600     -0.1629000    
 H    1.484300       1.002300      -1.539200    
 H   -5.567100      -1.301800       1.063400    
 H   -3.665000      -2.712400       1.221900    
 H   0.1453000      -4.228400       1.006800    
 H    4.526400      -2.624600     -0.6549000    
 H   -4.871100       1.824400      -2.628500    
 H   -6.609800       2.015000      -2.372300    
 H   -5.586600       3.440500      -2.587900    
 H   -8.020600      0.8998000       2.243800    
 H   -6.888900       2.242300       2.039100    
 H   -6.294200      0.6531000       2.534100    
 H    2.136000      -5.640600       1.165500    
 H    4.322800      -4.828900      0.3310000    
 H    4.300900      0.2079000       1.265900    
 H    4.176400       2.722400      -2.245700    
 H    4.513300       2.197000       2.678500    
 H    4.395600       4.709300     -0.8231000    
 H    3.614700       5.159800       2.179100    
 H    5.132600       5.599400       1.361500    
 H    5.179000       4.573500       2.791800    


%chk=000158507-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158507

1 1
S 4.457487 -0.499078 0.129846
O -0.680477 0.290204 0.148994
N -5.423123 1.275985 0.133657
N -1.256399 -2.507869 0.054846
C 0.035985 -2.057957 0.076647
C -4.392435 0.367660 0.115127
C 1.146714 -3.001330 0.052265
C 0.353030 -0.654595 0.120438
C -2.011663 -0.156608 0.128694
C 2.504374 -2.511001 0.069464
C -2.259026 -1.583683 0.076400
C -3.019610 0.795615 0.146894
C -5.182063 2.737397 0.283597
C -6.850646 0.870407 -0.001046
C 2.737599 -1.072201 0.111846
C 1.663527 -0.163486 0.137373
C -4.660896 -1.063132 0.064916
C -3.634822 -1.992915 0.046559
C 0.903102 -4.402341 0.010960
C 3.574429 -3.457422 0.044105
C -4.914384 3.445174 -1.063206
C -7.509813 0.517969 1.349863
C 1.972476 -5.308873 -0.012962
C 3.314031 -4.833570 0.003676
C 4.293306 1.340031 0.184805
C 4.285805 1.999278 1.434387
C 4.291199 2.074116 -1.022281
C 4.249519 4.176449 0.271079
C 4.261387 3.411062 1.467816
C 4.266859 3.485336 -0.969977
C 4.211537 5.691821 0.317061
H -2.738893 1.849710 0.165270
H -4.348581 2.899657 0.989020
H -6.080645 3.166786 0.760318
H -6.930341 0.031012 -0.712495
H -7.382230 1.719597 -0.465671
H 1.831258 0.916017 0.169946
H -5.691798 -1.421858 0.057877
H -3.841359 -3.066429 0.015458
H -0.134133 -4.747403 -0.001217
H 4.612072 -3.108856 0.056421
H -4.013318 3.047472 -1.560843
H -5.766955 3.323390 -1.754230
H -4.767440 4.526404 -0.894321
H -8.571973 0.261702 1.190608
H -7.469277 1.371018 2.049849
H -7.016652 -0.342939 1.833530
H 1.776831 -6.385245 -0.044476
H 4.145033 -5.545341 -0.015216
H 4.313165 1.422925 2.364609
H 4.322713 1.555198 -1.985618
H 4.265278 3.923077 2.436701
H 4.275052 4.055271 -1.905936
H 3.167264 6.059712 0.326169
H 4.707257 6.137868 -0.561907
H 4.703664 6.083312 1.223611


