%chk=000178679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178679

0 1
 S   -1.183400       3.117800      6.2100001E-02
 S    1.371800       1.325300      5.3100001E-02
 S   -4.193400       2.971000      0.2293000    
 O  -0.4309000     -0.6719000      9.4999997E-03
 N   -2.411000      0.7940000      4.0399998E-02
 N    1.803500      -1.316100     -3.9999999E-02
 C   -1.039500      0.5816000      7.3700003E-02
 C   -3.373700     -0.2651000     -1.8000000E-03
 C  -0.2855000       1.675800      8.8500001E-02
 C   -2.726000       2.181000      7.5199999E-02
 C   0.9183000     -0.3806000      3.0000000E-03
 C   -3.083100      -1.492200      0.5908000    
 C   -4.598800     -6.4900003E-02 -0.6347000    
 C    3.137900     -0.8980000     -4.3800000E-02
 C   -4.021500      -2.523600      0.5504000    
 C   -5.537300      -1.096200     -0.6751000    
 C    5.800500     -6.5700002E-02 -5.1500000E-02
 C   -5.248500      -2.325400     -8.2500003E-02
 C    3.819600     -0.7298000       1.161400    
 C    3.787600     -0.6501000      -1.252900    
 C    5.150900     -0.3135000       1.157700    
 C    5.119000     -0.2341000      -1.256800    
 C    7.223500      0.3809000     -5.6200001E-02
 H   -2.172800      -1.677600       1.150300    
 H   -4.835300      0.8218000      -1.209100    
 H   -3.802800      -3.476700       1.023200    
 H   -6.482900     -0.9514000      -1.189700    
 H    3.323400     -0.9230000       2.109100    
 H    3.266400     -0.7809000      -2.197800    
 H   -5.978100      -3.129200     -0.1163000    
 H    5.671600     -0.1879000       2.103300    
 H    5.614900     -4.6000000E-02  -2.205300    
 H    7.430600       1.030500     -0.9134000    
 H    7.460500      0.9558000      0.8455000    
 H    7.889200     -0.4864000     -0.1040000    


%chk=000178679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178679

0 1
S -2.145846 3.403416 1.441367
S 0.943069 2.185352 1.034364
S -5.096838 2.500533 1.003479
O -0.550935 0.027127 0.172591
N -2.795318 0.991008 0.484955
N 1.731492 -0.408852 -0.069652
C -1.399693 1.045349 0.601868
C -3.487441 -0.201204 0.023616
C -0.858833 2.204100 1.072816
C -3.450468 2.168815 0.906699
C 0.836402 0.406726 0.291776
C -3.189589 -1.445460 0.624157
C -4.435995 -0.102411 -1.018110
C 3.138831 -0.370456 -0.068476
C -3.850631 -2.606470 0.169019
C -5.096273 -1.269018 -1.458922
C 5.999629 -0.473477 -0.177923
C -4.806628 -2.521331 -0.868946
C 3.922397 0.625575 0.579910
C 3.801860 -1.421524 -0.759475
C 5.330485 0.563377 0.520936
C 5.205872 -1.466129 -0.814730
C 7.514777 -0.525955 -0.250606
H -2.451319 -1.506802 1.429530
H -4.654844 0.868754 -1.469194
H -3.620788 -3.573082 0.629101
H -5.833691 -1.198158 -2.265210
H 3.450178 1.436572 1.144684
H 3.188222 -2.186620 -1.244627
H -5.321440 -3.423552 -1.216081
H 5.920245 1.335523 1.028915
H 5.697781 -2.282838 -1.356541
H 7.870474 -0.373810 -1.287573
H 7.979143 0.251565 0.379457
H 7.900413 -1.507443 0.082424


