%chk=000051138.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051138

1 1
 S   -3.799500      -1.770700     -0.8683000    
 N   -5.533900     -6.0199998E-02  0.4460000    
 C    3.906300     -0.1133000     -0.2427000    
 C    5.310000     -0.5970000      0.1317000    
 C    2.820800      -1.173100     -2.1199999E-02
 C    6.405000      0.4357000     -0.1554000    
 C    1.413600     -0.6837000     -0.3736000    
 C    7.799900     -1.3800000E-02  0.2855000    
 C   0.3297000      -1.742800     -0.1399000    
 C    8.851300       1.051100     -3.5399999E-02
 C   -1.067400      -1.281900     -0.5709000    
 C    10.23990      0.6226000      0.4385000    
 C   -2.153600      -2.333800     -0.3444000    
 C    11.28110       1.692600      0.1515000    
 C   -4.236700     -0.7583000      0.5726000    
 C   -5.557900       1.167200     -9.1200002E-02
 C   -6.643600     -0.6777000      0.8737000    
 C   -6.760900       1.846000     -0.2216000    
 C   -7.874900     -4.6700001E-02  0.7687000    
 C   -7.929500       1.228600      0.2144000    
 C   -6.799600       3.209300     -0.8181000    
 H    3.898700      0.1900000      -1.296900    
 H    3.665000      0.7802000      0.3461000    
 H    5.535300      -1.518000     -0.4198000    
 H    5.326300     -0.8544000       1.197900    
 H    3.055800      -2.059500     -0.6231000    
 H    2.837900      -1.489600       1.029000    
 H    6.152600       1.373700      0.3548000    
 H    6.416100      0.6539000      -1.230600    
 H    1.396000     -0.3763000      -1.426400    
 H    1.179200      0.2076000      0.2212000    
 H    8.059400     -0.9525000     -0.2184000    
 H    7.794000     -0.2153000       1.363400    
 H   0.5910000      -2.653500     -0.6929000    
 H   0.3112000      -2.011000      0.9236000    
 H    8.575000       1.995900      0.4486000    
 H    8.871200       1.235700      -1.116300    
 H   -1.311400     -0.3662000     -1.9400001E-02
 H   -1.036000      -1.013300      -1.634600    
 H    10.53220     -0.3088000     -6.0199998E-02
 H    10.22060      0.4217000       1.516000    
 H   -2.190400      -2.638900      0.7067000    
 H   -1.915000      -3.229000     -0.9289000    
 H    11.34800       1.896700     -0.9220000    
 H    12.26650       1.364900      0.4971000    
 H    11.03480       2.627600      0.6646000    
 H   -4.284800      -1.387500       1.468400    
 H   -3.473500      6.6999998E-03  0.7503000    
 H   -4.610400       1.585000     -0.4110000    
 H   -6.536600      -1.671100       1.292400    
 H   -8.778600     -0.5390000       1.111700    
 H   -8.888300       1.732700      0.1281000    
 H   -6.769600       3.966700     -2.8500000E-02
 H   -5.950700       3.373600      -1.490500    
 H   -7.710300       3.352300      -1.409600    


%chk=000051138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051138

1 1
S -3.996962 -2.195552 -2.103225
N -5.283942 0.037458 -0.922872
C 3.665551 -0.276910 -0.567059
C 4.861547 -0.352119 0.408455
C 2.393645 -0.968552 -0.025549
C 6.123164 0.371310 -0.114621
C 1.202269 -0.901088 -1.007352
C 7.321290 0.288157 0.857807
C -0.077406 -1.570343 -0.453247
C 8.573419 1.040830 0.353824
C -1.258834 -1.506972 -1.454558
C 9.771962 0.951590 1.325999
C -2.521948 -2.167527 -0.884879
C 11.012940 1.721987 0.826021
C -4.466916 -0.394062 -2.127316
C -4.841051 1.068227 -0.125709
C -6.461629 -0.615538 -0.652385
C -5.575759 1.502502 0.996723
C -7.242179 -0.219752 0.442307
C -6.802117 0.835958 1.269692
C -5.070871 2.633898 1.861338
H 3.952513 -0.739670 -1.534122
H 3.439542 0.787864 -0.786547
H 5.106286 -1.416166 0.608479
H 4.568181 0.087877 1.384805
H 2.623575 -2.030157 0.201480
H 2.106157 -0.498960 0.938600
H 5.881051 1.437952 -0.305932
H 6.415982 -0.061027 -1.094197
H 1.486873 -1.388793 -1.962051
H 0.988531 0.161137 -1.250552
H 7.579924 -0.777432 1.031403
H 7.021737 0.699272 1.844911
H 0.141338 -2.629882 -0.210116
H -0.362600 -1.081147 0.501658
H 8.318111 2.108482 0.186817
H 8.874695 0.635727 -0.634971
H -1.452020 -0.444271 -1.712450
H -0.974137 -2.012069 -2.396504
H 10.035201 -0.114466 1.482665
H 9.466204 1.344587 2.317394
H -2.864204 -1.696629 0.054452
H -2.360290 -3.241055 -0.683202
H 11.357718 1.329964 -0.149522
H 11.854444 1.640605 1.538055
H 10.785871 2.796729 0.693201
H -3.574615 0.246936 -2.177137
H -5.080151 -0.245946 -3.029793
H -3.896458 1.535447 -0.414240
H -6.726275 -1.443363 -1.313305
H -8.181663 -0.740993 0.639234
H -7.406407 1.144866 2.128985
H -4.951676 2.305861 2.909500
H -4.099567 3.022390 1.515206
H -5.788744 3.473931 1.865103


