%chk=000132302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132302

0 1
 S   -3.847600     -0.4561000      0.1183000    
 O   -4.093300     -0.9298000       1.466700    
 O   -4.423400      -1.153900      -1.015000    
 O    5.119400       2.456200      0.6190000    
 N   -2.152600     -0.3699000     -0.1147000    
 N   0.6748000     -0.5421000      2.5400000E-02
 N   -4.275100       1.215400      2.4100000E-02
 N    2.764600      0.5892000     -0.2758000    
 N    4.836200     -0.6075000      1.3400000E-02
 C   -1.408700      0.4358000      0.8945000    
 C   -1.474400      -1.673300     -0.3627000    
 C   1.5000000E-03  0.7147000      0.3829000    
 C  -6.2300000E-02  -1.424200     -0.8867000    
 C    2.074300     -0.5516000      1.8200001E-02
 C   -3.957500       1.923900      -1.242600    
 C   -5.604600       1.604300      0.5615000    
 C    2.736100      -1.743700      0.3156000    
 C    4.107600      0.4916000     -0.2604000    
 C    4.115500      -1.711900      0.2984000    
 C    4.869300       1.732900     -0.5801000    
 H   -1.907400       1.392000       1.076600    
 H   -1.366500     -0.1149000       1.842000    
 H   -1.441600      -2.251400      0.5685000    
 H   -2.028300      -2.251400      -1.109300    
 H  -3.7400000E-02   1.369400     -0.4970000    
 H   0.5547000       1.241600       1.170100    
 H   0.4371000      -2.392100      -1.007300    
 H  -0.1057000     -0.9547000      -1.877600    
 H   -4.027800       3.005300      -1.089100    
 H   -4.657500       1.630400      -2.030200    
 H   -2.936200       1.709800      -1.567100    
 H   -6.401800       1.232800     -8.8600002E-02
 H   -5.677400       2.694100      0.6300000    
 H   -5.737300       1.203900       1.570300    
 H    2.207800      -2.656900      0.5636000    
 H    4.697100      -2.599600      0.5228000    
 H    5.829000       1.496200      -1.049600    
 H    4.304500       2.374600      -1.263900    
 H    4.296300       2.481500       1.136500    


%chk=000132302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132302

0 1
S -3.673642 -0.286275 0.666466
O -3.631376 -0.067550 2.279746
O -4.369706 -1.622093 0.042350
O 4.034654 2.753571 0.966133
N -1.982434 -0.192807 -0.150440
N 0.802679 -0.347904 -0.591576
N -4.296191 1.348376 -0.061293
N 2.879694 0.539845 0.092698
N 4.941587 -0.752346 0.127254
C -1.101784 0.800738 0.525572
C -1.346050 -1.538387 -0.225547
C 0.151049 0.960428 -0.366361
C -0.100639 -1.381673 -1.130633
C 2.158842 -0.535442 -0.380400
C -4.669886 1.144970 -1.486190
C -5.385550 1.904406 0.787601
C 2.843952 -1.771495 -0.623855
C 4.212426 0.383478 0.320674
C 4.220198 -1.817331 -0.349655
C 4.932674 1.618818 0.838609
H -1.640449 1.760860 0.588323
H -0.809657 0.476129 1.545980
H -1.034799 -1.917233 0.771938
H -2.061734 -2.245199 -0.677081
H -0.153572 1.393527 -1.339798
H 0.876500 1.633020 0.112827
H 0.410271 -2.353158 -1.196847
H -0.432626 -1.092245 -2.147824
H -4.833024 2.149051 -1.918238
H -5.589030 0.539097 -1.622739
H -3.830702 0.667575 -2.016545
H -6.368624 1.413191 0.631662
H -5.472143 2.975344 0.529211
H -5.095665 1.821803 1.847583
H 2.345946 -2.661883 -1.010285
H 4.784566 -2.741314 -0.517690
H 5.385132 1.378705 1.821476
H 5.759635 1.863664 0.142957
H 3.140877 2.408340 0.674638


