%chk=000163213.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163213

0 1
 S   -3.889700       2.958200      3.5000000E-02
 O    2.665200       1.782200      1.9600000E-02
 O   -2.993900       3.423600      -1.246000    
 O   -2.666200      -2.709300      9.6000005E-03
 O   -3.322900       3.570000       1.222800    
 O   -5.288200       3.148700     -0.3024000    
 O   -6.216200      -1.827000      0.9692000    
 O   -5.523800      -2.675300     -0.9417000    
 N    3.698300     -0.3739000      6.3000000E-03
 N    3.240800      -1.700300      1.7000000E-03
 N   0.2607000      0.1462000      1.6300000E-02
 N  -0.6284000     -0.9212000      1.3600000E-02
 N   -5.425800      -1.891700      1.5100000E-02
 C    1.475800     -0.2827000      1.2000000E-02
 C   -3.525500       1.273400      2.9100001E-02
 C    1.943800      -1.680600      5.2000000E-03
 C    5.043300     -3.9500002E-02  4.3000001E-03
 C    2.684000      0.5737000      1.3000000E-02
 C   -1.845500     -0.4917000      1.7899999E-02
 C   -2.226800      0.9435000      2.4700001E-02
 C   -4.596400      0.3047000      2.5500000E-02
 C   -4.322600      -1.000800      1.9200001E-02
 C   -2.949200      -1.522500      1.5500000E-02
 C    1.025200      -2.841800      2.2000000E-03
 C    5.437700       1.303400      9.1000004E-03
 C    6.020900      -1.041200     -1.9000000E-03
 C    6.791300       1.640100      7.4999998E-03
 C    7.374500     -0.7044000     -3.4000000E-03
 C    7.759600      0.6363000      1.3000000E-03
 H   -1.457400       1.706500      3.4400001E-02
 H   -5.620000      0.6664000      2.7300000E-02
 H    1.628100      -3.757000     -2.7999999E-03
 H   0.4157000      -2.864700     -0.9046000    
 H   0.4193000      -2.872200      0.9110000    
 H    4.764500       2.147800      1.3800000E-02
 H    5.754500      -2.095000     -5.5999998E-03
 H    7.093100       2.683600      1.1100000E-02
 H    8.128900      -1.485800     -8.1000002E-03
 H    8.813600      0.8983000      1.9999999E-04
 H   -3.283300       3.069000      -2.119500    


%chk=000163213-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163213

0 1
S -3.661909 2.577493 1.252608
O 2.892878 1.034303 -1.978663
O -4.212061 3.566424 -0.211045
O -2.963867 -2.611534 -1.721558
O -2.215161 3.091027 1.757815
O -4.905924 2.426395 2.273837
O -6.608069 -1.775254 -0.202737
O -5.738988 -2.198783 -2.279356
N 3.767836 -0.328440 -0.195911
N 3.253555 -1.300834 0.708240
N 0.363478 -0.421794 -1.181441
N -0.759521 -1.024409 -1.216234
N -5.677977 -1.700245 -1.097312
C 1.535626 -0.582793 -0.629117
C -3.434050 0.988571 0.280201
C 1.949322 -1.455931 0.480522
C 5.164305 -0.002094 -0.128221
C 2.775735 0.174159 -1.070581
C -1.971381 -0.581381 -0.823193
C -2.155504 0.653498 -0.097390
C -4.600925 0.209125 -0.008366
C -4.452607 -0.948538 -0.743243
C -3.129147 -1.484582 -1.173941
C 1.091827 -2.411720 1.251538
C 5.727084 0.937233 -1.030338
C 5.970052 -0.633400 0.852850
C 7.103362 1.235650 -0.938217
C 7.342364 -0.320218 0.927017
C 7.918079 0.613759 0.034581
H -1.305886 1.306967 0.135912
H -5.588553 0.522419 0.348388
H 1.723099 -3.026126 1.912610
H 0.532163 -3.084268 0.576078
H 0.352954 -1.878540 1.879119
H 5.102818 1.421080 -1.783965
H 5.518777 -1.354518 1.537706
H 7.536782 1.960829 -1.635323
H 7.962382 -0.809219 1.686099
H 8.984801 0.852813 0.097207
H -4.530745 4.459876 0.111329


