%chk=000084479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084479

0 1
 S   0.4069000     -0.3937000      -1.427300    
 O   0.1574000      0.7543000      -2.279300    
 O   0.4652000      -1.719500      -2.015200    
 O   -2.545900      -2.527400     -0.7186000    
 O   -2.389200       3.364800       1.139700    
 N  -0.7180000     -0.3973000     -0.1174000    
 N   -4.050300      -2.760700       1.003700    
 N   -4.073900       3.123500     -0.4055000    
 N    5.594300      0.5440000       1.324100    
 C  -0.5410000      -1.410900      0.9471000    
 C   -1.143500      0.9189000      0.4277000    
 C    1.951800     -0.1144000     -0.6077000    
 C   -1.894700      -1.817800       1.510900    
 C   -2.411700       1.387900     -0.2708000    
 C    2.687600      -1.200600     -0.1715000    
 C    2.389200       1.183900     -0.4215000    
 C   -2.832000      -2.400500      0.4684000    
 C   -2.925500       2.721100      0.2425000    
 C    3.904200     -0.9807000      0.4743000    
 C    3.605900       1.403700      0.2243000    
 C    4.363400      0.3213000      0.6721000    
 H   0.1038000      -1.021300       1.742800    
 H  -5.8699999E-02  -2.303800      0.5347000    
 H  -0.3498000       1.660700      0.2923000    
 H   -1.302600      0.8786000       1.511000    
 H   -1.740400      -2.580600       2.284000    
 H   -2.402800     -0.9743000       1.991100    
 H   -3.207500      0.6453000     -0.1341000    
 H   -2.243500       1.483000      -1.349700    
 H    2.347000      -2.221300     -0.3133000    
 H    1.815800       2.039900     -0.7626000    
 H    4.485100      -1.832300      0.8193000    
 H    3.953200       2.423100      0.3723000    
 H   -4.266500      -2.643500       1.988500    
 H   -4.778200      -3.161300      0.4213000    
 H   -4.502400       2.573000      -1.142700    
 H   -4.531500       3.995900     -0.1627000    
 H    6.143300     -0.2402000       1.650400    
 H    5.926800       1.488100       1.468900    


%chk=000084479-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084479

0 1
S 0.125206 -0.609565 -1.347845
O -0.355447 0.613119 -2.311704
O 0.204821 -2.151166 -1.860006
O -3.712375 -3.935530 1.674460
O -2.634945 2.950156 1.842513
N -1.180940 -0.661409 0.084752
N -3.284413 -2.574837 -0.171473
N -3.325545 3.798681 -0.203205
N 5.521362 0.886893 0.973496
C -0.771412 -1.704139 1.082136
C -1.379542 0.705587 0.654291
C 1.782254 -0.142238 -0.622691
C -1.991193 -2.204696 1.897725
C -2.421878 1.507142 -0.144569
C 2.624277 -1.169638 -0.151924
C 2.157905 1.215807 -0.598155
C -3.066792 -2.992558 1.123862
C -2.789031 2.800522 0.591912
C 3.876029 -0.822598 0.381055
C 3.410232 1.557991 -0.062366
C 4.285898 0.546506 0.442708
H 0.001115 -1.318021 1.781796
H -0.346834 -2.552093 0.513766
H -0.423888 1.267106 0.735297
H -1.742952 0.590851 1.691775
H -1.625042 -2.879496 2.691417
H -2.487613 -1.358783 2.412421
H -3.337383 0.891238 -0.243803
H -2.049913 1.705298 -1.164937
H 2.317461 -2.217403 -0.234816
H 1.496421 1.978525 -1.021799
H 4.548235 -1.608423 0.743876
H 3.721680 2.608398 -0.038787
H -2.704162 -1.816213 -0.558265
H -3.964801 -3.077735 -0.740734
H -3.430124 3.687166 -1.210303
H -3.634006 4.664321 0.239415
H 6.154396 0.173984 1.325531
H 5.824239 1.856151 1.014682


