%chk=000055298.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055298

0 1
 S    1.546900      0.1893000       2.445500    
 N    4.242400      0.8351000      -1.491200    
 C  -0.4960000     -9.4200000E-02 -0.2593000    
 C   0.5537000      2.0999999E-03  -1.423800    
 C  -0.6241000       1.358800      0.3313000    
 C   8.1900001E-02  -1.321400      0.5512000    
 C   -1.939300     -0.4467000     -0.7508000    
 C    1.914000      0.3833000     -0.8732000    
 C  -0.5077000       1.748700       1.680300    
 C    1.013100      -1.283600       1.608900    
 C    2.934700      0.4492000      -2.008000    
 C  -0.1051000      0.8210000       2.780300    
 C  -0.9972000       2.387300     -0.5833000    
 C  -0.2308000      -2.622700      5.7799999E-02
 C   -2.982800     -0.4605000      0.1610000    
 C   -2.148700     -0.7385000      -2.089400    
 C  -0.7420000       3.094200       2.057000    
 C    1.563100      -2.475200       2.134400    
 C   -1.218900       3.711600     -0.1992000    
 C   0.3061000      -3.796700      0.5926000    
 C   -1.090700       4.067000       1.128700    
 C    1.208800      -3.722100       1.635100    
 C   -4.269300     -0.7746000     -0.2770000    
 C   -3.435300      -1.052400      -2.527300    
 C   -4.495500      -1.070400      -1.621000    
 C    5.217900      0.9326000      -2.578500    
 C    4.700800     -0.1213000     -0.4822000    
 H   0.6523000     -0.9575000      -1.951600    
 H   0.2681000      0.7234000      -2.197700    
 H    1.900700       1.344000     -0.3500000    
 H    2.268300     -0.3991000     -0.2147000    
 H    2.983000     -0.5162000      -2.529800    
 H    2.598700       1.195700      -2.738900    
 H  -5.5000000E-02   1.342900       3.742600    
 H  -0.8499000      2.7799999E-02   2.911700    
 H   -1.153800       2.162500      -1.636400    
 H  -0.8917000      -2.758300     -0.7942000    
 H   -2.825300     -0.2455000       1.213400    
 H   -1.361400     -0.7411000      -2.833400    
 H  -0.6448000       3.394200       3.099000    
 H    2.275300      -2.442500       2.958000    
 H   -1.502500       4.452600     -0.9406000    
 H   2.8100001E-02  -4.760300      0.1765000    
 H   -1.263100       5.090700       1.444900    
 H    1.640100      -4.624500       2.056200    
 H   -5.094400     -0.7916000      0.4290000    
 H   -3.612200      -1.283800      -3.573700    
 H   -5.497100      -1.315800      -1.962000    
 H    4.891300       1.666100      -3.324100    
 H    5.371700     -2.8100001E-02  -3.083300    
 H    6.184500       1.282900      -2.199500    
 H    5.755100      5.9500001E-02 -0.2376000    
 H    4.615900      -1.161700     -0.8167000    
 H    4.174700      3.3000000E-03  0.4684000    


%chk=000055298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055298

0 1
S 1.421733 0.041762 2.777376
N 4.368529 0.885980 -1.724449
C -0.449803 -0.129471 -0.158330
C 0.642492 -0.071214 -1.301866
C -0.628013 1.322171 0.426113
C -0.011818 -1.375528 0.704863
C -1.865333 -0.443634 -0.749836
C 2.053997 0.355807 -0.850995
C -0.604234 1.744840 1.788615
C 0.870713 -1.430868 1.824597
C 3.047124 0.286474 -2.030014
C -0.301738 0.820292 2.937221
C -0.937309 2.317415 -0.546244
C -0.383055 -2.641084 0.153479
C -2.965123 -0.531405 0.145434
C -2.117557 -0.628339 -2.130558
C -0.843690 3.108142 2.114393
C 1.359809 -2.666719 2.323386
C -1.173541 3.665247 -0.217927
C 0.099117 -3.869969 0.640981
C -1.124602 4.074778 1.131571
C 0.996053 -3.889807 1.731056
C -4.269168 -0.792752 -0.318966
C -3.426521 -0.886915 -2.604361
C -4.508928 -0.970678 -1.703120
C 5.205070 0.999727 -2.935749
C 5.083882 0.200977 -0.628803
H 0.695900 -1.074289 -1.770068
H 0.311836 0.629169 -2.091569
H 2.036775 1.390857 -0.463009
H 2.395344 -0.293428 -0.026245
H 3.147741 -0.784515 -2.360476
H 2.624923 0.847144 -2.888764
H -0.299235 1.363416 3.895733
H -0.996395 -0.032030 3.019025
H -1.024009 2.027383 -1.597598
H -1.064940 -2.657561 -0.701589
H -2.793683 -0.392948 1.219512
H -1.299126 -0.580702 -2.854949
H -0.802382 3.406547 3.169263
H 2.013927 -2.650129 3.201489
H -1.402094 4.385286 -1.011249
H -0.224420 -4.803625 0.168149
H -1.303316 5.118441 1.411547
H 1.384862 -4.833677 2.128033
H -5.098746 -0.854918 0.394511
H -3.594913 -1.025156 -3.678678
H -5.521937 -1.171279 -2.069288
H 4.673003 1.592845 -3.701516
H 5.470969 0.009447 -3.390092
H 6.146512 1.523854 -2.690733
H 6.051238 0.704956 -0.453023
H 5.290031 -0.879757 -0.845950
H 4.500647 0.258940 0.305067


