%chk=000132497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132497

0 1
 S   -5.943200      4.5299999E-02  0.2690000    
 O   -7.231000     -0.6098000      0.4030000    
 O   -5.428600      0.8835000       1.333600    
 N   -4.779600      -1.133000     -0.2040000    
 N    1.552100     -0.7309000     -3.1599998E-02
 N    2.465000       1.881100     -4.9000001E-03
 N    4.654800       1.130800      5.4699998E-02
 N   0.2258000       2.663100     -6.5300003E-02
 N    5.154700      -1.214300      6.6600002E-02
 N    3.390300      -2.784800      1.7000001E-02
 N    6.875200      0.3731000      0.1155000    
 C  -0.6987000     -6.2500000E-02 -9.2399999E-02
 C   0.6975000      0.3035000     -5.4099999E-02
 C   -3.399100     -0.7710000     -0.1663000    
 C   -1.343000     -0.2391000      -1.318400    
 C   -1.408800     -0.2412000       1.096700    
 C   -2.691900     -0.5929000      -1.355300    
 C   -2.757600     -0.5951000       1.059700    
 C    2.867100     -0.4425000      4.4000000E-03
 C    1.149400       1.594500     -4.0899999E-02
 C    3.342100      0.8706000      1.8400000E-02
 C    3.828200      -1.435000      2.9999999E-02
 C   -6.015700       1.027500      -1.212400    
 C    5.495000      7.9300001E-02  7.7100001E-02
 H  -0.8065000     -0.1041000      -2.254600    
 H  -0.9229000     -0.1109000       2.060900    
 H   -3.181900     -0.7260000      -2.316400    
 H   -3.291500     -0.7427000       1.994800    
 H   -5.039900      -1.699200      -1.022800    
 H   -5.049300       1.506900      -1.376100    
 H   -6.285000      0.3850000      -2.052900    
 H   -6.784300       1.790900      -1.071200    
 H   0.6137000       3.598600     -4.8000000E-02
 H  -0.6610000       2.533600     -0.5357000    
 H    4.106000      -3.500800      2.6699999E-02
 H    2.502100      -2.996000     -0.4211000    
 H    7.544300     -0.3842000      0.1341000    
 H    7.178100       1.337200      0.1254000    


%chk=000132497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132497

0 1
S -6.213105 0.083482 -0.126087
O -7.589475 -0.742263 -0.363111
O -6.042343 1.175227 1.059424
N -4.855885 -1.288745 0.179072
N 1.567556 -0.650691 -0.231862
N 2.515676 1.922583 0.554381
N 4.754958 1.180281 0.311236
N 0.342968 2.699443 0.724691
N 5.208840 -1.120674 -0.496674
N 3.438189 -2.599401 -0.966634
N 6.921838 0.377507 0.006266
C -0.756356 -0.060019 0.143551
C 0.681035 0.303884 0.141399
C -3.502609 -0.870902 0.128534
C -1.242146 -0.984032 -0.825918
C -1.675578 0.430905 1.119250
C -2.594047 -1.362374 -0.856027
C -3.022005 0.026966 1.124280
C 2.902632 -0.359469 -0.198815
C 1.190574 1.636915 0.488478
C 3.409029 0.924388 0.233358
C 3.880568 -1.371541 -0.561302
C -5.751443 0.982648 -1.769861
C 5.569588 0.147814 -0.058598
H -0.537295 -1.383033 -1.561965
H -1.319301 1.072651 1.932708
H -2.952351 -2.054202 -1.629389
H -3.710842 0.372621 1.900403
H -5.115011 -2.050737 -0.472840
H -4.707969 1.309853 -1.665471
H -5.897111 0.251410 -2.576457
H -6.450340 1.827814 -1.838274
H 0.778356 3.602070 0.911554
H -0.662144 2.630434 0.592774
H 4.110378 -3.324784 -1.204287
H 2.433183 -2.770903 -0.970973
H 7.565695 -0.363443 -0.256802
H 7.248192 1.286819 0.323189


