%chk=000010579.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010579

1 1
 S   -3.927900       1.398700     -0.7232000    
 S    3.642200       1.416600      0.1351000    
 N   -4.782700     -0.7609000      0.2236000    
 N    4.927200     -0.9020000     -0.2432000    
 C   -5.878800      7.1900003E-02  0.2263000    
 C    5.932200      6.7599997E-02 -6.2700003E-02
 C   -4.840400      -2.127500      0.6986000    
 C    5.287500      -2.287200     -0.4765000    
 C   -3.701400     -0.2104000     -0.2406000    
 C    3.648900     -0.3454000     -0.1674000    
 C   -5.594100       1.336900     -0.2727000    
 C    5.433300       1.372000      0.1537000    
 C   -7.168600     -0.2546000      0.6688000    
 C    7.309500     -0.1318000     -7.7299997E-02
 C   -6.584900       2.325700     -0.3497000    
 C    6.273000       2.459200      0.3527000    
 C   -5.198200      -3.086600     -0.4207000    
 C    5.435900      -3.034000      0.8093000    
 C   -2.428100     -0.8591000     -0.3494000    
 C    2.465400     -0.9661000     -0.2922000    
 C   -8.160000      0.7287000      0.5937000    
 C    8.163900      0.9580000      0.1220000    
 C   -7.871600       1.997700      9.2399999E-02
 C    7.649600       2.243200      0.3355000    
 C   -1.252400     -0.2228000     -0.2219000    
 C    1.200000     -0.2805000     -0.1941000    
 C   2.0600000E-02 -0.9075000     -0.3200000    
 H   -5.561700      -2.217600       1.517600    
 H   -3.884500      -2.417700       1.150300    
 H    4.511700      -2.775100      -1.079300    
 H    6.194300      -2.377800      -1.085400    
 H   -7.430600      -1.233700       1.055400    
 H    7.750100      -1.111100     -0.2309000    
 H   -6.368500       3.315500     -0.7386000    
 H    5.878800       3.456500      0.5184000    
 H   -4.469900      -3.042600      -1.235900    
 H   -6.180100      -2.849600     -0.8425000    
 H   -5.228500      -4.114200     -4.5699999E-02
 H    6.231300      -2.614200       1.433800    
 H    4.510900      -3.010000       1.395700    
 H    5.681900      -4.083400      0.6176000    
 H   -2.423100      -1.931500     -0.5258000    
 H    2.431500      -2.037100     -0.4721000    
 H   -9.168400      0.4997000      0.9283000    
 H    9.240100      0.8058000      0.1132000    
 H   -8.658800       2.745800      4.3200001E-02
 H    8.329900       3.076400      0.4889000    
 H   -1.208000      0.8442000     -2.0000000E-02
 H    1.159200      0.7875000     -1.1300000E-02
 H  -7.7000000E-03  -1.979100     -0.5054000    


%chk=000010579-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010579

1 1
S -3.842762 1.499313 0.147453
S 3.848485 1.590086 -0.097854
N -4.948592 -0.903802 0.298768
N 5.012726 -0.788505 -0.188717
C -6.051096 -0.009835 0.280572
C 6.093099 0.132293 -0.193204
C -5.139051 -2.378167 0.358239
C 5.238385 -2.258930 -0.212385
C -3.699510 -0.313458 0.209565
C 3.749384 -0.226665 -0.114594
C -5.654929 1.352325 0.215054
C 5.663889 1.485579 -0.162281
C -7.423389 -0.344736 0.324614
C 7.473069 -0.170419 -0.228867
C -6.590898 2.398324 0.202793
C 6.574196 2.553911 -0.177133
C -5.263932 -3.014416 -1.040677
C 5.372306 -2.859625 1.201258
C -2.463244 -0.987096 0.164360
C 2.530149 -0.929112 -0.053475
C -8.369156 0.702094 0.311704
C 8.393227 0.898971 -0.243324
C -7.963087 2.058990 0.253507
C 7.954254 2.246619 -0.219855
C -1.209551 -0.344660 0.103530
C 1.260943 -0.316218 -0.008738
C 0.033993 -1.009387 0.056003
H -6.043294 -2.568123 0.960328
H -4.295182 -2.812043 0.919689
H 4.407662 -2.725718 -0.767097
H 6.149582 -2.441403 -0.806216
H -7.758501 -1.384956 0.362367
H 7.832900 -1.202960 -0.239383
H -6.275193 3.444373 0.154617
H 6.233396 3.592956 -0.155755
H -4.353881 -2.846124 -1.641898
H -6.122678 -2.598510 -1.594865
H -5.415427 -4.103511 -0.941715
H 6.219154 -2.411684 1.748816
H 4.456399 -2.699014 1.795647
H 5.549307 -3.946912 1.127757
H -2.476555 -2.082837 0.168210
H 2.570132 -2.023962 -0.030750
H -9.435366 0.458194 0.345038
H 9.465051 0.680295 -0.270734
H -8.714976 2.853531 0.244451
H 8.686658 3.059130 -0.231740
H -1.185835 0.756623 0.090438
H 1.210644 0.784160 -0.023971
H 0.047095 -2.108477 0.070052


