%chk=000019150.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019150

0 1
 S   8.1600003E-02  0.8888000      0.6352000    
 O  -0.4258000      -3.584000     -0.5264000    
 O   -4.576500       1.490600      0.5980000    
 O   -4.004900      -2.448400     -0.2377000    
 O    3.443800      -1.383900       1.948100    
 O   -2.984800      -2.039900      -2.243200    
 O   -6.319100       2.197100     -0.7443000    
 N   -1.098600      -1.455100      0.2322000    
 N    1.969700      -1.482500      0.1612000    
 N    5.564500      -1.433100      0.1785000    
 C  -0.2813000     -0.7808000       1.224300    
 C   0.7873000      -1.857900      0.9359000    
 C  -0.3185000      -2.548200      8.7300003E-02
 C   -2.259300     -0.9499000     -0.2592000    
 C   -2.596100      0.3498000     -8.1900001E-02
 C   -1.677200       1.372600      0.5825000    
 C   -3.901600      0.9652000     -0.5255000    
 C    3.221100      -1.273400      0.7435000    
 C   -3.102300      -1.861000      -1.047700    
 C    4.287400     -0.8696000     -0.2688000    
 C    4.343400      0.6362000     -0.4226000    
 C    3.549200       1.246400      -1.377200    
 C    5.186900       1.366800      0.3952000    
 C   -5.787300       2.086700      0.3521000    
 C    3.600500       2.633100      -1.518900    
 C    5.237900       2.753500      0.2535000    
 C    4.444700       3.386600     -0.7035000    
 C   -6.384500       2.594400       1.629500    
 H  -0.7042000     -0.8345000       2.234500    
 H    1.048000      -2.455700       1.818200    
 H    1.887000      -1.353000     -0.8443000    
 H   -2.019100       1.563900       1.605600    
 H   -1.716200       2.319500      3.3700000E-02
 H   -4.550000      0.2360000      -1.022500    
 H   -3.694200       1.768400      -1.243600    
 H    4.059800      -1.327200      -1.239900    
 H    5.489000      -2.448900      0.2283000    
 H    6.283100      -1.242600     -0.5197000    
 H   -4.591200      -3.066200     -0.7246000    
 H    2.888700      0.6689000      -2.017100    
 H    5.802400      0.9060000       1.161500    
 H    2.982300       3.126000      -2.263400    
 H    5.891800       3.341300      0.8912000    
 H    4.483500       4.466500     -0.8127000    
 H   -7.346300       3.069900       1.417000    
 H   -6.551500       1.761000       2.316500    
 H   -5.720300       3.336800       2.078800    


%chk=000019150-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019150

0 1
S -0.173873 0.936770 0.833074
O 0.000530 -2.718958 -1.794310
O -4.957964 1.249798 0.797843
O -2.917548 -3.235805 -1.124422
O 3.325985 -2.366761 1.729362
O -4.119705 -1.546034 -2.170967
O -4.547311 3.497138 0.296818
N -1.189600 -1.492819 -0.038174
N 2.103049 -1.163031 0.159095
N 5.548023 -0.841853 1.320379
C -0.348533 -0.935414 1.043255
C 0.852856 -1.796338 0.494691
C -0.104965 -2.158119 -0.695500
C -2.440500 -0.997254 -0.462029
C -2.873869 0.251087 -0.060175
C -2.060417 1.172437 0.837008
C -4.221477 0.819666 -0.442111
C 3.284158 -1.520311 0.787362
C -3.242758 -1.898978 -1.345018
C 4.583031 -0.874769 0.220612
C 4.352824 0.507589 -0.401173
C 4.126607 0.641411 -1.794626
C 4.342605 1.665742 0.416003
C -5.092984 2.630966 1.017257
C 3.879146 1.913047 -2.363457
C 4.096374 2.934538 -0.150802
C 3.860181 3.062681 -1.541327
C -5.983559 2.884881 2.211750
H -0.708363 -1.156110 2.059050
H 1.077393 -2.652145 1.155319
H 2.126431 -0.421637 -0.547471
H -2.398562 1.079671 1.884814
H -2.220930 2.220832 0.530365
H -4.874418 0.090275 -0.936290
H -4.096456 1.710944 -1.086709
H 4.876878 -1.565814 -0.612572
H 5.416328 -1.605526 1.991856
H 6.516287 -0.679655 1.038892
H -3.403055 -3.805712 -1.779623
H 4.160115 -0.246681 -2.439810
H 4.550714 1.544880 1.484326
H 3.709954 2.005304 -3.442076
H 4.088886 3.825210 0.487795
H 3.671293 4.049020 -1.979701
H -5.906849 3.938481 2.516345
H -7.032153 2.662422 1.944061
H -5.710998 2.221134 3.048610


