%chk=000067204.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067204

0 1
 S  -0.3145000      -4.059300     -0.1680000    
 S    6.527000       1.046600      0.2513000    
 O   -1.295000       2.603300     -0.5114000    
 O   -4.871100      -1.230600      0.5165000    
 O  -0.9715000      -4.742600      -1.497800    
 O    1.126200      -4.047000     -0.3595000    
 O  -0.9071000      -4.680600       1.003600    
 O    7.058400     -0.4668000     -5.8100000E-02
 O    7.107300       1.918100     -0.7578000    
 O    6.717700       1.314700       1.666700    
 N   0.6653000      0.9000000     -0.7648000    
 N   -3.111700      -3.117900      0.3166000    
 N    4.456400     -0.3910000       1.966900    
 C   -1.672900      0.2787000     -0.2458000    
 C   -2.606900     -0.7241000      2.2500001E-02
 C  -0.3357000     -5.8800001E-02 -0.4865000    
 C   -2.203700      -2.064600      4.9600001E-02
 C  -0.8702000      -2.396600     -0.1912000    
 C   -2.084800       1.696900     -0.2780000    
 C   -3.498600       2.039100     -2.1400001E-02
 C   -4.432600       1.036300      0.2472000    
 C   -4.020900     -0.3820000      0.2788000    
 C   6.1799999E-02  -1.395900     -0.4587000    
 C    2.048900      0.9295000     -0.5159000    
 C   -3.901700       3.379600     -4.8300002E-02
 C   -5.769700       1.373900      0.4886000    
 C    2.577100      0.2631000      0.5926000    
 C   -5.235100       3.711700      0.1929000    
 C   -6.167200       2.710900      0.4606000    
 C    2.901800       1.624500      -1.376500    
 C    4.798600      0.9866000     -2.2800000E-02
 C    3.949800      0.2916000      0.8388000    
 C    4.274400       1.653000      -1.130600    
 H    1.090600      -1.660500     -0.6831000    
 H   0.3268000       1.704500      -1.283900    
 H   -3.196400       4.180200     -0.2545000    
 H   -6.517700      0.6145000      0.7001000    
 H   -2.815300      -4.083100      0.3031000    
 H   -4.085800      -2.919800      0.4955000    
 H    1.926400     -0.2614000       1.288600    
 H    2.506000       2.146700      -2.244100    
 H   -5.547200       4.751800      0.1719000    
 H   -7.204600       2.972300      0.6480000    
 H    4.906300       2.201100      -1.822900    
 H  -0.6935000      -4.348000      -2.357700    
 H    3.821800     -0.8913000       2.575600    
 H    5.446500     -0.4052000       2.166600    
 H    6.914200     -0.7857000     -0.9801000    


%chk=000067204-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067204

0 1
S -0.304012 -4.103628 0.146851
S 6.644446 1.076745 -0.032530
O -1.297922 2.674423 -0.523632
O -5.089569 -1.223911 0.448315
O -0.524509 -4.430433 -1.661264
O 1.273166 -4.093516 0.496945
O -1.303113 -5.090621 0.967358
O 6.944553 -0.030747 -1.503616
O 7.170743 2.557095 -0.411866
O 7.257471 0.316826 1.275790
N 0.607794 0.982733 -0.340252
N -3.279177 -3.060118 0.525281
N 4.748852 -0.938420 1.510156
C -1.751297 0.332849 -0.095823
C -2.745403 -0.687781 0.125754
C -0.349055 -0.006301 -0.153838
C -2.368044 -2.080612 0.264775
C -0.962117 -2.349205 0.115489
C -2.163582 1.742679 -0.267963
C -3.594017 2.094888 -0.155080
C -4.569837 1.088206 0.089291
C -4.175227 -0.335071 0.230366
C 0.009326 -1.387894 -0.095732
C 2.011612 0.923635 -0.218272
C -3.995598 3.448793 -0.295315
C -5.938105 1.445877 0.192926
C 2.688004 -0.009768 0.599081
C -5.354883 3.795609 -0.188965
C -6.328743 2.791216 0.056116
C 2.749221 1.930052 -0.919310
C 4.806708 0.995670 -0.027630
C 4.112941 -0.017905 0.708854
C 4.142683 1.954575 -0.821031
H 1.044574 -1.700387 -0.255995
H 0.160054 1.911489 -0.547600
H -3.224438 4.201033 -0.484998
H -6.666734 0.651577 0.379337
H -2.969579 -4.023516 0.697676
H -4.264858 -2.745996 0.590395
H 2.133843 -0.712110 1.227769
H 2.221204 2.657588 -1.542136
H -5.663338 4.840896 -0.295012
H -7.385976 3.064701 0.137941
H 4.731110 2.710988 -1.350282
H -0.218729 -5.366951 -1.845851
H 4.214129 -1.674844 1.963965
H 5.760234 -0.861138 1.674159
H 7.933096 -0.042870 -1.667398


