%chk=000034332.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034332

0 1
 S   -2.141500       1.477700      -1.907700    
 P   -2.743200      0.2750000     -0.4898000    
 O    2.043000       1.171200     -0.7544000    
 O  -4.4000000E-02 -0.5773000     -0.1927000    
 O   -4.282500      0.5216000     -8.5000005E-03
 O   -2.777400      -1.295900     -0.9241000    
 O   0.2202000     -0.1041000       2.059000    
 N   -1.814100      0.3242000       1.000300    
 C    2.634300       2.137000      0.1127000    
 C    2.292200     -0.1401000     -0.4824000    
 C    1.278800      -1.029000     -0.2011000    
 C    1.535400       2.942700      0.7887000    
 C    3.573800       3.022900     -0.6912000    
 C  -0.4828000     -0.1157000       1.050000    
 C    3.608000     -0.6031000     -0.4866000    
 C   -2.437800      0.8375000       2.214900    
 C    1.513800      -2.357900      7.6399997E-02
 C    3.876800      -1.943500     -0.2095000    
 C    2.829600      -2.820900      7.1999997E-02
 C   -5.333900      0.5477000     -0.9598000    
 C   -3.348900      -2.269800     -6.6299997E-02
 H    3.217900       1.654400      0.9087000    
 H   0.8711000       3.397200      4.5499999E-02
 H   0.9125000       2.305600       1.419800    
 H    1.953500       3.736100       1.416000    
 H    3.033500       3.531700      -1.497200    
 H    4.359700       2.429000      -1.168200    
 H    4.047300       3.778900     -5.7399999E-02
 H    4.436100      6.1999999E-02 -0.7136000    
 H   -3.241000      0.1545000       2.503000    
 H   -1.723100      0.9192000       3.037200    
 H   -2.851900       1.825700       1.999100    
 H   0.6987000      -3.040700      0.2946000    
 H    4.901000      -2.304700     -0.2153000    
 H    3.038600      -3.864800      0.2871000    
 H   -6.274800      0.3415000     -0.4436000    
 H   -5.391800       1.538500      -1.416900    
 H   -5.180000     -0.2115000      -1.731100    
 H   -4.433600      -2.146900     -2.7100001E-02
 H   -3.121200      -3.260900     -0.4667000    
 H   -2.927900      -2.191500      0.9387000    


%chk=000034332-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034332

0 1
S -1.513757 1.472783 -1.858797
P -2.423467 0.234536 -0.498190
O 1.604190 0.996488 0.401190
O -0.117687 -1.096830 0.302959
O -4.041013 0.705726 -0.024892
O -2.663711 -1.353712 -1.145189
O -0.025708 -0.469310 2.582280
N -1.852230 0.085374 1.191703
C 2.412725 2.241557 0.233990
C 2.184731 -0.247946 0.181242
C 1.280524 -1.347239 0.186278
C 1.579237 3.330999 0.914766
C 2.656914 2.513207 -1.259991
C -0.598394 -0.465844 1.476498
C 3.561567 -0.510416 -0.022858
C -2.584513 0.747050 2.303212
C 1.718199 -2.662169 -0.019733
C 4.006677 -1.837318 -0.225009
C 3.094355 -2.914889 -0.230216
C -4.911915 1.280944 -1.072318
C -3.115977 -2.442649 -0.248461
H 3.371510 2.107150 0.777122
H 0.606492 3.434724 0.402889
H 1.395565 3.073623 1.971740
H 2.109227 4.299505 0.871201
H 1.688905 2.620108 -1.779236
H 3.218582 1.695340 -1.743180
H 3.232587 3.448731 -1.384751
H 4.287071 0.308083 -0.027842
H -3.576240 0.291184 2.440847
H -1.972442 0.612865 3.209140
H -2.710569 1.823586 2.102275
H 0.980664 -3.470602 -0.020008
H 5.074585 -2.023393 -0.383040
H 3.443424 -3.938868 -0.394704
H -5.819609 1.597736 -0.537099
H -4.421714 2.146885 -1.552665
H -5.160531 0.521932 -1.835535
H -3.996714 -2.137049 0.345812
H -3.386748 -3.261742 -0.931992
H -2.290392 -2.756640 0.413064


