%chk=000079269.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079269

0 1
 S    3.208900      0.6677000       1.290900    
 N    4.612700      -1.407100      0.5521000    
 N    5.220500      0.7929000     -0.3551000    
 C   -3.221600     -0.3240000     -0.1183000    
 C   -4.545700      0.3714000      0.2070000    
 C   -2.037900      0.4213000      0.5022000    
 C   -5.734700     -0.3924000     -0.3803000    
 C  -0.6918000     -0.2707000      0.2688000    
 C   -7.059200      0.2874000     -2.5800001E-02
 C   0.4960000      0.4880000      0.8688000    
 C   -8.280900     -0.4203000     -0.6155000    
 C    1.807400     -0.2354000      0.5725000    
 C   -9.603400      0.2105000     -0.2076000    
 C    4.543500     -4.6399999E-02  0.3414000    
 C    5.546400      -2.355200      1.8000000E-03
 C    4.879300       2.200500     -0.3609000    
 C    5.004400      -2.931100      -1.292400    
 C    5.856000       2.942600      -1.249700    
 H   -3.244100      -1.352400      0.2622000    
 H   -3.089900     -0.3834000      -1.205200    
 H   -4.661900      0.4478000       1.295100    
 H   -4.531400       1.393900     -0.1895000    
 H   -1.996500       1.437400      9.0599999E-02
 H   -2.199600      0.5243000       1.582500    
 H   -5.632400     -0.4509000      -1.470600    
 H   -5.739300      -1.420900      3.9999999E-04
 H  -0.7292000      -1.280700      0.6956000    
 H  -0.5362000     -0.3890000     -0.8109000    
 H   -7.042700       1.325300     -0.3808000    
 H   -7.160800      0.3282000       1.066000    
 H   0.5217000       1.502300      0.4511000    
 H   0.3501000      0.5824000       1.952100    
 H   -8.280300      -1.470000     -0.2983000    
 H   -8.208000     -0.4191000      -1.709600    
 H    1.948600     -0.3139000     -0.5110000    
 H    1.779900      -1.248100      0.9873000    
 H   -9.727500      0.1882000      0.8796000    
 H   -9.656400       1.252600     -0.5382000    
 H   -10.43940     -0.3335000     -0.6578000    
 H    3.937200      -1.807300       1.198000    
 H    5.704900      -3.164100      0.7229000    
 H    6.517800      -1.879500     -0.1710000    
 H    4.959400       2.645100      0.6384000    
 H    3.875600       2.373100     -0.7677000    
 H    4.041200      -3.426300      -1.129100    
 H    4.853000      -2.145100      -2.039900    
 H    5.702100      -3.666100      -1.705300    
 H    6.882900       2.824700     -0.8877000    
 H    5.819600       2.561100      -2.275700    
 H    5.621000       4.011300      -1.272800    


%chk=000079269-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079269

0 1
S 3.199768 0.404495 1.707781
N 5.239441 -1.323626 1.183367
N 5.219543 0.447770 -0.368958
C -3.277115 0.118712 -0.240510
C -4.666150 0.210382 0.430407
C -2.105659 0.251856 0.758663
C -5.838014 0.077741 -0.568583
C -0.717515 0.164630 0.084336
C -7.227803 0.174066 0.100116
C 0.449055 0.296472 1.093852
C -8.399185 0.044077 -0.900490
C 1.819441 0.207052 0.403523
C -9.783851 0.146687 -0.225058
C 4.707747 -0.159911 0.653416
C 6.464895 -1.943954 0.649344
C 4.782332 1.760679 -0.856540
C 6.219412 -2.798877 -0.613746
C 4.271732 1.670418 -2.311656
H -3.192700 -0.849610 -0.777136
H -3.191100 0.910746 -1.013735
H -4.753100 -0.581216 1.203952
H -4.750811 1.178779 0.966812
H -2.191219 1.218941 1.296707
H -2.189606 -0.541951 1.529890
H -5.749329 0.867803 -1.343667
H -5.755171 -0.891887 -1.103267
H -0.631876 -0.801811 -0.454846
H -0.633070 0.960951 -0.684174
H -7.311758 1.143214 0.635482
H -7.319563 -0.616553 0.874237
H 0.364939 1.264146 1.627996
H 0.368161 -0.499023 1.860702
H -8.316706 -0.925503 -1.433130
H -8.304463 0.832604 -1.674985
H 1.939541 1.005711 -0.347683
H 1.961853 -0.772025 -0.084839
H -9.914061 -0.647545 0.534313
H -9.903732 1.120617 0.286324
H -10.603352 0.048312 -0.960758
H 4.686511 -1.803073 1.893185
H 6.911594 -2.557475 1.454345
H 7.169063 -1.128318 0.406466
H 5.660039 2.437615 -0.834661
H 4.006020 2.212976 -0.200089
H 5.522806 -3.631701 -0.406532
H 5.792487 -2.167833 -1.411463
H 7.171398 -3.227235 -0.979342
H 5.046103 1.226084 -2.961491
H 3.368660 1.036667 -2.377782
H 4.023668 2.676024 -2.699493


