%chk=000063545.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063545

0 1
 S    1.111600       1.752800      0.3685000    
 O   -1.301000       2.725300     -2.1000000E-02
 N    4.906700      0.8680000      9.1300003E-02
 N   -1.116600      0.3774000     -0.1169000    
 N   -3.087000     -0.9546000     -2.7500000E-02
 N    2.335200      5.8800001E-02  -1.114200    
 N    1.010300     -0.3409000      -1.105400    
 C    3.820200       1.817900     -0.1897000    
 C    4.613000      0.1120000       1.304900    
 C    6.175800       1.578200      0.2183000    
 C    2.524400       1.138000     -0.3852000    
 C   -1.793800     -0.8578000     -9.7300000E-02
 C   0.2732000      0.4568000     -0.3714000    
 C   -3.267900       1.484800      0.1244000    
 C   -1.797600       1.602300      1.0300000E-02
 C   -3.849200      0.2157000      7.1400002E-02
 C    5.722400     -0.8779000       1.617000    
 C    6.516600       2.326300      -1.059400    
 C   -1.039500      -2.134300     -7.4100003E-02
 C   -4.063300       2.630100      0.2508000    
 C   -5.242900      0.1067000      0.1476000    
 C  -0.7500000      -2.784800      -1.268500    
 C  -0.6281000      -2.669200       1.141700    
 C   -5.449900       2.505800      0.3260000    
 C   -6.039800       1.245400      0.2731000    
 C  -4.0300000E-02  -3.985300      -1.247000    
 C   8.1799999E-02  -3.869800       1.163200    
 C   0.3756000      -4.527900     -3.1199999E-02
 H    4.001900       2.350000      -1.130200    
 H    3.761700       2.577500      0.6015000    
 H    4.462200      0.7710000       2.169800    
 H    3.699000     -0.4809000       1.186800    
 H    6.177100       2.273600       1.067200    
 H    7.001700      0.8754000      0.3683000    
 H    6.006600      -1.463100      0.7356000    
 H    6.613500     -0.3942000       2.029200    
 H    5.375500      -1.586200       2.378200    
 H    6.389300       1.696500      -1.946700    
 H    5.925800       3.239300      -1.181500    
 H    7.566800       2.639100      -1.031200    
 H   -3.624000       3.623000      0.2889000    
 H   -5.717500     -0.8712000      0.1133000    
 H   -1.070900      -2.370300      -2.220400    
 H  -0.8516000      -2.163000       2.076900    
 H   -6.070000       3.392100      0.4238000    
 H   -7.119900       1.148000      0.3317000    
 H   0.1885000      -4.497600      -2.176800    
 H   0.4061000      -4.292000       2.109800    
 H   0.9285000      -5.462500     -1.4400000E-02


%chk=000063545-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063545

0 1
S 1.834022 0.042735 0.918680
O -0.775895 1.369670 1.916194
N 4.758354 0.973315 1.210871
N -0.860074 0.057963 -0.044095
N -2.950776 -0.731040 -0.949576
N 2.304028 1.022248 -1.527123
N 0.906884 0.849178 -1.469633
C 4.419552 0.692122 -0.202473
C 4.533785 2.406609 1.564733
C 6.104923 0.469101 1.597356
C 2.929245 0.651381 -0.412090
C -1.628472 -0.731656 -0.961323
C 0.509216 0.339142 -0.302194
C -2.953038 0.714229 1.062268
C -1.483696 0.759378 1.070120
C -3.638317 0.017200 0.017419
C 4.304188 2.624626 3.070790
C 6.157492 -1.063298 1.745474
C -0.932904 -1.631955 -1.921333
C -3.685369 1.405089 2.062723
C -5.059848 0.037551 -0.015259
C -1.494467 -1.801008 -3.212925
C 0.216310 -2.383119 -1.559108
C -5.089312 1.414738 2.020025
C -5.774536 0.732229 0.974588
C -0.901923 -2.684638 -4.137215
C 0.797174 -3.278515 -2.480961
C 0.248301 -3.424852 -3.776083
H 4.835565 -0.296119 -0.474967
H 4.845016 1.429697 -0.923203
H 5.380402 3.043176 1.205959
H 3.632527 2.745324 1.020868
H 6.889949 0.810505 0.876605
H 6.355957 0.923767 2.571471
H 3.437998 2.031628 3.410984
H 5.181656 2.334409 3.676304
H 4.099614 3.692218 3.271977
H 5.406974 -1.399379 2.481472
H 5.959448 -1.585890 0.791654
H 7.159146 -1.379363 2.090839
H -3.128539 1.928031 2.846878
H -5.565021 -0.506419 -0.818729
H -2.392903 -1.233416 -3.472718
H 0.636183 -2.302275 -0.551072
H -5.658589 1.947771 2.788506
H -6.869577 0.744553 0.946073
H -1.335246 -2.796519 -5.136931
H 1.676082 -3.863244 -2.188272
H 0.708711 -4.112578 -4.494047


