%chk=000155064.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155064

0 1
 S   -3.744100       1.406100       1.317600    
 S   -4.347500      -1.499700      0.7527000    
 N  -0.5016000     -0.6466000     -0.4477000    
 C   0.8074000     -0.4571000     -0.1952000    
 C    1.308200      0.8620000     -0.1298000    
 C   -1.360900      0.3625000     -0.6423000    
 C   0.4191000       1.926400     -0.3317000    
 C  -0.9242000       1.675800     -0.5896000    
 C    1.659500      -1.548700     -5.0000002E-04
 C    2.673300       1.055800      0.1340000    
 C   -2.799400      7.4299999E-02 -0.9187000    
 C    3.518300     -3.9000001E-02  0.3271000    
 C   -1.048300      -2.011500     -0.5211000    
 C    3.012700      -1.336900      0.2601000    
 C    4.967700      0.1802000      0.6046000    
 C   -3.640400     -3.5999999E-03  0.3804000    
 H   0.7684000       2.955500     -0.2936000    
 H   -1.594300       2.511800     -0.7640000    
 H    1.325100      -2.580100     -2.0300001E-02
 H    3.077900       2.064900      0.1862000    
 H   -3.199300      0.9347000      -1.482400    
 H   -2.974100     -0.7256000      -1.642700    
 H   -2.028100      -2.137900     -0.9560000    
 H  -0.4009000      -2.599500      -1.180600    
 H   -1.044300      -2.424600      0.4924000    
 H    3.664900      -2.193100      0.4118000    
 H    5.124700       1.103100       1.173100    
 H    5.385600     -0.6378000       1.201200    
 H    5.524000      0.2472000     -0.3357000    


%chk=000155064-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155064

0 1
S -3.006927 0.345703 1.678510
S -5.224278 -1.053256 0.029987
N -0.570218 -0.664429 -0.443859
C 0.805335 -0.457813 -0.173894
C 1.325476 0.883306 -0.138522
C -1.454220 0.399936 -0.578983
C 0.418316 1.980531 -0.348976
C -0.930307 1.731127 -0.550620
C 1.695348 -1.545998 0.041178
C 2.715482 1.085417 0.106689
C -2.883833 0.142331 -1.032593
C 3.597959 0.012645 0.319736
C -1.080610 -2.056471 -0.379623
C 3.058090 -1.307590 0.281279
C 5.074981 0.233803 0.585118
C -3.747540 -0.223861 0.188668
H 0.801939 3.005645 -0.332094
H -1.644754 2.545691 -0.687708
H 1.336393 -2.576941 0.023293
H 3.091612 2.115356 0.131390
H -3.287047 1.076784 -1.465338
H -2.950272 -0.621023 -1.829175
H -2.171235 -2.071375 -0.487685
H -0.621740 -2.673103 -1.171818
H -0.845844 -2.485358 0.609694
H 3.725257 -2.161931 0.446084
H 5.330783 1.306630 0.588552
H 5.372646 -0.187258 1.563545
H 5.698608 -0.259899 -0.183533


