%chk=000064545.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064545

0 1
 S    3.135600      0.4148000     -0.8913000    
 O   0.3228000      -2.891600       1.229700    
 N    1.215500      -2.128000     -0.7756000    
 N    4.036900       2.862300     -0.5229000    
 N    4.390900       1.357700       1.262700    
 C   -1.671300     -0.7733000     -0.2607000    
 C   -2.330300      0.8706000       1.552600    
 C   -3.561300      0.8711000     -0.6464000    
 C   -1.183700       1.699000     -0.5330000    
 C   -1.821200     -0.5523000       1.263200    
 C   -3.048500     -0.5517000     -0.9298000    
 C  -0.6775000      0.2740000     -0.8167000    
 C   -3.695400       1.067600      0.8728000    
 C   -1.329800       1.891400      0.9856000    
 C   -2.554600       1.891900      -1.202400    
 C   -1.164500      -2.189800     -0.5448000    
 C   0.1825000      -2.451900      9.1799997E-02
 C    2.611200      -2.274600     -0.4309000    
 C    3.199300      -1.027400      0.2149000    
 C    3.943400       1.640100      8.1100002E-02
 H   -2.432200       1.014200       2.634200    
 H   -4.536200       1.014700      -1.125300    
 H  -0.4712000       2.430400     -0.9308000    
 H   -2.516700      -1.287200       1.688300    
 H  -0.8643000     -0.6836000       1.781600    
 H   -3.774100      -1.285900     -0.5568000    
 H   -2.972800     -0.7064000      -2.013900    
 H  -0.5288000      0.1374000      -1.894800    
 H   0.2936000      0.1808000     -0.3280000    
 H   -4.423100      0.3550000       1.280000    
 H   -4.079200       2.072400       1.087800    
 H   -1.671900       2.910800       1.202400    
 H  -0.3549000       1.772700       1.474400    
 H   -2.461000       1.772500      -2.288800    
 H   -2.918100       2.911500      -1.024400    
 H   -1.864400      -2.936900     -0.1493000    
 H   -1.105800      -2.371400      -1.625400    
 H    1.001000      -1.773300      -1.702700    
 H    3.150100      -2.530700      -1.350000    
 H    2.714400      -3.121300      0.2572000    
 H    4.242700      -1.226200      0.4810000    
 H    2.649200     -0.7891000       1.131900    
 H    4.480600       3.648400     -6.0500000E-02
 H    3.663100       3.019600      -1.452500    
 H    4.823000       2.197900       1.662300    


%chk=000064545-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064545

0 1
S 3.544372 1.245245 -0.180162
O 0.421605 -2.465713 1.265556
N 1.644574 -1.413285 -0.409077
N 5.733613 1.939024 -1.575847
N 5.896855 -0.164489 -0.353185
C -1.741257 -0.546812 -0.279476
C -3.308224 0.315918 1.540949
C -3.915795 0.654917 -0.896542
C -1.998538 1.963304 0.125034
C -2.323687 -0.816208 1.139901
C -2.924818 -0.472401 -1.291784
C -1.012596 0.830063 -0.272208
C -4.479119 0.372766 0.522684
C -2.561693 1.677553 1.543856
C -3.168327 2.015929 -0.894690
C -0.786524 -1.693480 -0.738749
C 0.457853 -1.892031 0.130028
C 2.925804 -1.506479 0.300855
C 3.330902 -0.206741 1.015653
C 5.283942 0.917513 -0.744131
H -3.706046 0.109038 2.554265
H -4.746814 0.687011 -1.629258
H -1.460643 2.932380 0.125576
H -2.846855 -1.794073 1.143737
H -1.501842 -0.899082 1.874773
H -3.451973 -1.448585 -1.316915
H -2.532594 -0.286732 -2.313941
H -0.587074 1.035392 -1.277647
H -0.164873 0.805555 0.441509
H -5.033078 -0.587728 0.527774
H -5.196886 1.167516 0.810176
H -3.253275 2.489600 1.847159
H -1.736194 1.655824 2.283507
H -2.778901 2.238398 -1.909238
H -3.867998 2.832892 -0.625992
H -1.350373 -2.645755 -0.712604
H -0.494612 -1.507729 -1.792778
H 1.618474 -0.894054 -1.288273
H 3.730667 -1.795112 -0.396688
H 2.809542 -2.300849 1.061065
H 4.307561 -0.334858 1.509709
H 2.563816 0.125310 1.734154
H 6.651556 1.878146 -2.011977
H 5.175255 2.776319 -1.733790
H 6.877216 -0.267219 -0.675166


