%chk=000135482.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135482

0 1
 S   -3.711800       1.704500      0.3966000    
 S    3.712600       1.701000      0.3980000    
 N   -4.775900     -0.6306000      -1.340900    
 N    4.771700     -0.6331000      -1.343800    
 C  -1.5000000E-03  -1.804000       1.531700    
 C   -1.252100      -1.486500      0.7842000    
 C    1.268700      -1.481600      0.7705000    
 C   -1.836900     -0.2259000      0.9050000    
 C    1.834400     -0.2268000      0.9039000    
 C   -1.836800      -2.450800     -3.6800001E-02
 C    1.831700      -2.451200     -3.9000001E-02
 C   -3.006400      7.0400000E-02  0.2048000    
 C    3.003800      6.8700001E-02  0.2033000    
 C   -3.590900     -0.8940000     -0.6163000    
 C    3.587200     -0.8959000     -0.6184000    
 C   -3.006200      -2.154600     -0.7370000    
 C    3.001000      -2.155900     -0.7396000    
 C   -2.357700       2.754400     -0.1974000    
 C    2.359900       2.754900     -0.1925000    
 C   -2.746300       4.218700     -0.1221000    
 C    2.751600       4.218200     -0.1142000    
 H   4.8000002E-03  -1.274000       2.494500    
 H   4.1999999E-03  -2.865300       1.817800    
 H   -1.377000      0.5123000       1.558300    
 H    1.372800      0.5080000       1.558600    
 H   -1.392200      -3.437100     -0.1398000    
 H    1.383300      -3.435200     -0.1393000    
 H   -3.450500      -2.916100      -1.373000    
 H    3.444300      -2.917500      -1.376200    
 H   -1.461600       2.591600      0.4090000    
 H   -2.121800       2.486000      -1.232300    
 H    2.122600       2.489400      -1.227700    
 H    1.464100       2.592500      0.4145000    
 H   -5.214600      0.2779000      -1.270200    
 H   -5.180800      -1.344600      -1.931500    
 H    5.212300      0.2744000      -1.271600    
 H    5.176600      -1.347800      -1.933600    
 H   -3.622700       4.434700     -0.7427000    
 H   -2.963700       4.524700      0.9069000    
 H   -1.922400       4.842000     -0.4854000    
 H    2.970300       4.521500      0.9152000    
 H    3.627800       4.433900     -0.7351000    
 H    1.928500       4.844000     -0.4754000    


%chk=000135482-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000135482

0 1
S -3.616291 1.812903 0.086640
S 4.675178 1.032649 1.216066
N -5.349896 -0.710533 -0.176254
N 4.333337 0.554254 -1.803449
C 0.122191 -1.840570 1.390503
C -1.311051 -1.548656 0.948499
C 1.209538 -1.178891 0.544835
C -1.753992 -0.219475 0.728193
C 2.271878 -0.464027 1.147807
C -2.255116 -2.590975 0.772457
C 1.211484 -1.287112 -0.871238
C -3.081291 0.063720 0.353102
C 3.303977 0.118654 0.381243
C -4.036482 -0.992135 0.190994
C 3.312268 -0.010312 -1.043065
C -3.589585 -2.327964 0.404581
C 2.235777 -0.722923 -1.651494
C -3.364805 1.921318 -1.811194
C 4.003795 2.821712 1.050653
C -3.889701 3.270375 -2.318474
C 5.052063 3.808387 1.580176
H 0.259348 -1.522370 2.443850
H 0.267937 -2.940163 1.386520
H -1.050257 0.612842 0.842940
H 2.306958 -0.353223 2.238332
H -1.942681 -3.631175 0.931279
H 0.391862 -1.821895 -1.366616
H -4.298432 -3.156203 0.281511
H 2.216853 -0.830998 -2.743305
H -2.284724 1.801301 -1.995082
H -3.904439 1.070005 -2.258807
H 3.777517 2.987253 -0.015975
H 3.066458 2.864223 1.628865
H -5.644559 0.266912 -0.190664
H -6.044960 -1.449328 -0.225856
H 5.143039 0.934501 -1.311312
H 4.376487 0.404689 -2.807037
H -4.971350 3.380690 -2.122301
H -3.365016 4.113052 -1.833460
H -3.729353 3.353370 -3.409622
H 5.292534 3.607581 2.639622
H 5.989542 3.750559 0.998409
H 4.668359 4.843177 1.509130


