%chk=000067047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067047

0 1
 S   -4.336900      -2.344700      0.2276000    
 O   -4.264500       2.680400     -0.5502000    
 O   -4.342000      -2.961700      -1.286400    
 O   -3.530400      -3.237300       1.047100    
 O   -5.710500      -2.038500      0.5952000    
 O    6.097300      -1.905600     -0.5709000    
 N    2.048300       1.775700      0.4183000    
 C   -1.415700      0.4430000      0.1733000    
 C   -2.135600       1.629100     -0.1063000    
 C   0.6494000       1.727000      0.2436000    
 C  -2.3499999E-02  0.5090000      0.3452000    
 C   -2.109300     -0.7741000      0.2725000    
 C   -3.492900     -0.8213000      9.8800004E-02
 C   -3.527800       1.563000     -0.2782000    
 C   -1.441900       2.846200     -0.2054000    
 C  -5.8400001E-02   2.893400     -3.1099999E-02
 C   -4.200700      0.3450000     -0.1760000    
 C    3.073700      0.8435000      0.1682000    
 C    4.230200      0.8488000      0.9497000    
 C    2.936000     -8.7700002E-02 -0.8627000    
 C    5.246100     -7.4100003E-02  0.7011000    
 C    3.951800      -1.010700      -1.111300    
 C    5.107000      -1.004000     -0.3293000    
 C    7.250400      -1.844000      0.2672000    
 H   0.5215000     -0.4027000      0.5828000    
 H   -1.554600      -1.687000      0.4798000    
 H   -1.939100       3.784400     -0.4338000    
 H   0.4563000       3.847100     -0.1170000    
 H   -5.277700      0.3238000     -0.3217000    
 H    2.380800       2.656600      0.8007000    
 H    4.349200       1.568200       1.756100    
 H    2.057600     -0.1021000      -1.502200    
 H    6.115800     -1.3400000E-02   1.346400    
 H    3.839900      -1.729700      -1.918300    
 H   -3.833000       3.467700     -0.1838000    
 H   -3.452800      -3.148400      -1.669800    
 H    7.934300      -2.631700     -6.5499999E-02
 H    7.779900     -0.8920000      0.1538000    
 H    7.000400      -2.058100       1.311900    


%chk=000067047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067047

0 1
S -4.312973 -2.445785 0.158758
O -4.421228 2.717026 -0.235509
O -4.418177 -2.712618 -1.680425
O -3.329719 -3.567055 0.786155
O -5.820141 -2.273765 0.722652
O 6.167071 -2.006614 -0.383890
N 2.110093 1.908193 0.214411
C -1.380508 0.467734 0.095407
C -2.161213 1.684332 -0.032895
C 0.717593 1.770404 0.130176
C 0.043251 0.535198 0.177665
C -2.054840 -0.797789 0.145802
C -3.439250 -0.793402 0.067975
C -3.598367 1.591890 -0.111118
C -1.452340 2.929865 -0.057098
C -0.064874 2.976045 0.014700
C -4.251558 0.355528 -0.062854
C 3.109168 0.897885 0.097506
C 4.298939 1.015997 0.857514
C 2.986736 -0.188491 -0.814245
C 5.349034 0.081277 0.721675
C 4.017712 -1.133386 -0.938355
C 5.204832 -1.007315 -0.172753
C 7.407566 -1.922227 0.389832
H 0.601160 -0.395682 0.309502
H -1.496397 -1.732128 0.257001
H -1.987644 3.885418 -0.139992
H 0.451305 3.943332 -0.022597
H -5.341322 0.295667 -0.107314
H 2.452976 2.846643 0.425373
H 4.404910 1.841957 1.571375
H 2.099197 -0.277301 -1.447350
H 6.254470 0.205922 1.322604
H 3.931915 -1.970875 -1.637141
H -3.897966 3.553650 -0.291340
H -4.973186 -3.533349 -1.827541
H 8.002697 -2.791471 0.074373
H 7.961176 -0.989755 0.163597
H 7.208498 -1.981856 1.477764


