%chk=000077279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077279

0 1
 S   0.8381000       1.348100      0.2172000    
 S  -0.7879000      -1.228700      0.2505000    
 O   0.2996000       1.495200      -1.127600    
 O   0.9035000       2.508900       1.093700    
 O  -0.8494000      -2.337700       1.183500    
 O  -0.2324000      -1.418600      -1.075100    
 N  -1.8999999E-02  9.4700001E-02   1.010900    
 C    2.440200      0.6735000      5.5500001E-02
 C   -2.442400     -0.6391000      7.2200000E-02
 C    2.774200     -6.4999998E-02  -1.079800    
 C   -2.797100      4.6200000E-02  -1.078300    
 C    3.386300      0.8724000       1.061200    
 C   -3.358300     -0.8711000       1.085300    
 C    4.999700     -0.4057000     -0.2040000    
 C   -5.038000      0.2873000     -0.2087000    
 C    4.053800     -0.6046000      -1.209500    
 C   -4.104000      0.5127000      -1.219600    
 C    4.666000      0.3328000      0.9314000    
 C   -4.665300     -0.4046000      0.9438000    
 C    6.368300     -0.9822000     -0.3426000    
 C   -6.435700      0.7855000     -0.3598000    
 H  -2.0700000E-02  0.1106000       2.038800    
 H    2.060000     -0.2295000      -1.880900    
 H   -2.086200      0.2315000      -1.877200    
 H    3.145200       1.439100       1.956100    
 H   -3.087100      -1.399200       1.994100    
 H    4.302900      -1.175400      -2.100100    
 H   -4.381900       1.051900      -2.121400    
 H    5.394500      0.4950000       1.721400    
 H   -5.383300     -0.5832000       1.740000    
 H    6.792700      -1.231600      0.6359000    
 H    6.350100      -1.907300     -0.9287000    
 H    7.029300     -0.2652000     -0.8395000    
 H   -6.520600       1.796200      5.1700000E-02
 H   -6.735300      0.8091000      -1.413100    
 H   -7.145900      0.1337000      0.1604000    


%chk=000077279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077279

0 1
S 0.947743 1.435163 0.594481
S -0.939923 -1.311839 0.557498
O 0.136827 1.738981 -0.774723
O 1.193832 2.582922 1.715724
O -1.069826 -2.471629 1.693893
O -0.132612 -1.603607 -0.823710
N -0.150387 0.153831 1.529928
C 2.628578 0.653032 0.211857
C -2.645570 -0.622560 0.183527
C 2.722193 -0.310988 -0.806390
C -2.771677 0.387790 -0.782801
C 3.723174 1.119037 0.957579
C -3.720876 -1.178799 0.891461
C 5.150972 -0.406730 -0.354906
C -5.209314 0.320490 -0.383304
C 4.003612 -0.835425 -1.077760
C -4.075386 0.853003 -1.055804
C 4.991874 0.572729 0.659747
C -5.013095 -0.693670 0.590219
C 6.515789 -0.989399 -0.669861
C -6.602604 0.822504 -0.712631
H 0.450646 -0.305795 2.260055
H 1.835132 -0.657564 -1.346108
H -1.892786 0.816025 -1.275860
H 3.587987 1.884544 1.728354
H -3.552069 -1.958196 1.641138
H 4.109745 -1.594330 -1.861349
H -4.209788 1.649194 -1.796754
H 5.866382 0.917242 1.222617
H -5.876410 -1.107694 1.122747
H 7.299801 -0.567486 -0.019253
H 6.519685 -2.087311 -0.538412
H 6.801521 -0.788372 -1.719125
H -6.621586 1.922313 -0.812387
H -6.954632 0.402562 -1.674512
H -7.333051 0.535729 0.062526


