%chk=000021978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021978

0 1
 S   -3.935300       1.924800      6.4900003E-02
 S   -2.136800      -1.749000      -2.323800    
 S    3.933500       1.925500     -6.6799998E-02
 S    2.135400      -1.744300       2.325900    
 N   -1.681000      0.5422000     -0.8118000    
 N    1.687500      0.5440000      0.8094000    
 C  -0.2244000      0.5514000     -0.7311000    
 C   0.2216000      0.5527000      0.7281000    
 C   -2.203600       1.891400     -0.5219000    
 C   -2.140500      6.9700003E-02  -2.133500    
 C    2.200600       1.892800      0.5166000    
 C    2.137600      7.4000001E-02   2.131600    
 C   -3.681500       1.348100       1.761800    
 C   -3.352100      -2.179700      -1.053300    
 C    3.683500       1.343400      -1.762400    
 C    3.351500      -2.176900       1.056900    
 C   -5.002500       1.279000       2.504200    
 C   -3.550100      -3.682400     -0.9930000    
 C    5.005900       1.272900      -2.502000    
 C    3.550800      -3.679600       1.000100    
 H   0.1893000     -0.3562000      -1.190600    
 H   0.1792000       1.389900      -1.309800    
 H  -0.1798000       1.392900       1.306000    
 H  -0.1892000     -0.3549000       1.190200    
 H   -2.143100       2.521100      -1.418700    
 H   -1.625500       2.420000      0.2409000    
 H   -3.174400      0.3764000      -2.326100    
 H   -1.537200      0.5063000      -2.938800    
 H    2.137400       2.525600       1.411000    
 H    1.623400       2.417300     -0.2497000    
 H    3.170200      0.3815000       2.330000    
 H    1.530500      0.5110000       2.933900    
 H   -3.005300       2.034900       2.280300    
 H   -3.220700      0.3556000       1.743600    
 H   -4.304600      -1.692300      -1.283600    
 H   -3.006900      -1.824400     -7.7600002E-02
 H    3.007900       2.028300      -2.284400    
 H    3.223100      0.3506000      -1.742300    
 H    4.303400      -1.688000       1.286500    
 H    3.006500      -1.824300      8.0200002E-02
 H   -4.836400      0.9298000       3.528700    
 H   -5.696800      0.5802000       2.025300    
 H   -5.482700       2.261700       2.563700    
 H   -4.287300      -3.930600     -0.2222000    
 H   -2.619200      -4.201000     -0.7393000    
 H   -3.921300      -4.077900      -1.944700    
 H    4.842000      0.9204000      -3.525800    
 H    5.699700      0.5760000      -2.019500    
 H    5.485600       2.255600      -2.563600    
 H    4.288500      -3.928800      0.2300000    
 H    2.620400      -4.199500      0.7473000    
 H    3.922000      -4.072500       1.952800    


%chk=000021978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021978

0 1
S -4.076446 1.774995 -0.184530
S -1.673679 -1.864233 -2.006374
S 4.073819 1.784099 0.188117
S 1.674891 -1.861881 2.006026
N -1.552862 0.827945 -1.122064
N 1.551483 0.829078 1.119151
C -0.117812 0.848162 -0.766024
C 0.116260 0.846993 0.763308
C -2.326397 2.045157 -0.931255
C -1.932313 0.006164 -2.266007
C 2.321632 2.049067 0.930722
C 1.931632 0.008756 2.264109
C -3.582033 1.194916 1.552597
C -2.905993 -2.161085 -0.587608
C 3.584074 1.202602 -1.549921
C 2.905586 -2.157817 0.585637
C -4.773381 0.500984 2.229064
C -2.298068 -3.081434 0.480862
C 4.777717 0.509904 -2.223548
C 2.299078 -3.083296 -0.479160
H 0.328404 -0.079376 -1.166601
H 0.409396 1.708258 -1.242036
H -0.412744 1.705129 1.240901
H -0.327869 -0.082277 1.162207
H -2.557917 2.585823 -1.871893
H -1.783429 2.728948 -0.259382
H -3.001502 0.172063 -2.477279
H -1.338416 0.208724 -3.183020
H 2.548942 2.590280 1.872114
H 1.778093 2.731245 0.257677
H 3.000632 0.176113 2.475239
H 1.337491 0.211713 3.180924
H -3.248934 2.075813 2.128965
H -2.733024 0.501558 1.423272
H -3.821307 -2.589485 -1.029221
H -3.137264 -1.160515 -0.183316
H 3.251094 2.082869 -2.127318
H 2.735626 0.508271 -1.422000
H 3.823466 -2.581450 1.026520
H 3.131852 -1.157350 0.178263
H -4.492217 0.167598 3.245651
H -5.095010 -0.384639 1.652779
H -5.638775 1.181228 2.322619
H -3.026765 -3.250028 1.297533
H -1.381730 -2.640207 0.911955
H -2.031651 -4.068450 0.060963
H 4.499178 0.175895 -3.240653
H 5.099163 -0.375163 -1.646312
H 5.642494 1.191161 -2.315437
H 3.026765 -3.251129 -1.296876
H 1.380186 -2.646717 -0.909535
H 2.037386 -4.070280 -0.056205


