%chk=000149296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149296

0 1
 S   -6.243600      0.5061000      0.4125000    
 O   -7.446800       1.258800      0.7146000    
 O   -6.156200     -0.2901000     -0.7955000    
 N   9.5200002E-02 -0.2341000      -1.339900    
 N    3.621800      -1.357000      0.6272000    
 N    5.262100       3.155600      0.4754000    
 N   -4.891000       1.563000      0.5524000    
 C    1.290600     -0.6149000     -0.6722000    
 C    2.267400      0.3475000     -0.3972000    
 C    1.480600      -1.948700     -0.2970000    
 C    3.433800     -7.3600002E-02  0.2635000    
 C    2.677700      -2.280000      0.3598000    
 C    2.103000       1.694900     -0.7630000    
 C    4.410100      0.8798000      0.5402000    
 C   -1.146600      0.2126000     -0.8693000    
 C   0.5159000      -2.936600     -0.5609000    
 C    4.249900       2.219600      0.1782000    
 C    3.094100       2.628500     -0.4748000    
 C    2.872700      -3.606300      0.7360000    
 C   -2.172100      0.5261000      -1.768400    
 C   -1.373000      0.3509000      0.5049000    
 C   0.7352000      -4.255400     -0.1745000    
 C   -3.626300       1.107400      7.1500003E-02
 C    1.916100      -4.590600      0.4752000    
 C   -3.407800      0.9722000      -1.299600    
 C   -2.608800      0.7968000      0.9738000    
 C    4.992500       4.537100      0.7290000    
 C   -5.946400     -0.5695000       1.797900    
 H   0.1701000     -0.3075000      -2.350400    
 H    1.214400       2.046900      -1.280600    
 H    5.320600      0.5702000       1.052300    
 H  -0.4166000      -2.709800      -1.071300    
 H    2.939000       3.659000     -0.7795000    
 H    3.790100      -3.894200       1.246400    
 H   -2.015800      0.4285000      -2.839900    
 H  -0.5989000      0.1161000       1.231000    
 H  -1.0900000E-02  -5.016700     -0.3804000    
 H    2.097300      -5.616900      0.7808000    
 H   -4.186200       1.222400      -2.015700    
 H   -2.768200      0.8971000       2.044400    
 H    6.131000       2.775100      0.8365000    
 H   -4.836800       2.087700       1.435900    
 H    4.217500       4.661300       1.492700    
 H    4.688100       5.060800     -0.1825000    
 H    5.899700       5.028000       1.095900    
 H   -5.887200      3.0099999E-02   2.708100    
 H   -6.786100      -1.264700       1.868600    
 H   -5.023100      -1.126600       1.631500    


%chk=000149296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149296

0 1
S -6.251523 1.241835 0.594616
O -7.311915 2.228407 1.339009
O -6.605914 0.511009 -0.815183
N -0.058397 -0.766236 -1.289704
N 3.738552 -1.504190 0.618553
N 4.698317 3.221582 0.951111
N -4.547339 2.348424 0.244481
C 1.184095 -0.980589 -0.626781
C 2.039990 0.099813 -0.263298
C 1.610453 -2.327488 -0.388394
C 3.310348 -0.215398 0.396660
C 2.923363 -2.528868 0.219313
C 1.758641 1.480398 -0.550463
C 4.171721 0.847585 0.800569
C -1.145803 0.014460 -0.860661
C 0.805473 -3.478445 -0.696277
C 3.850871 2.194685 0.547715
C 2.623298 2.493770 -0.162389
C 3.384892 -3.876622 0.431672
C -2.247878 0.202765 -1.750979
C -1.204691 0.596433 0.440718
C 1.284105 -4.767923 -0.469982
C -3.420952 1.555854 -0.069871
C 2.592554 -4.967949 0.088283
C -3.359937 0.962821 -1.369063
C -2.334718 1.330553 0.830953
C 4.461827 4.643568 0.704084
C -5.807000 -0.182359 1.827939
H -0.241065 -1.372662 -2.092679
H 0.846205 1.739478 -1.094983
H 5.105682 0.565835 1.298831
H -0.210597 -3.342466 -1.084489
H 2.377702 3.531663 -0.407077
H 4.377289 -3.996117 0.877017
H -2.211753 -0.237221 -2.755267
H -0.378877 0.448358 1.141804
H 0.657422 -5.635179 -0.704559
H 2.956880 -5.987532 0.256034
H -4.195812 1.125269 -2.055632
H -2.376368 1.754162 1.843145
H 5.555319 2.955461 1.433157
H -4.456321 2.852461 1.150631
H 3.518328 4.993808 1.167840
H 4.423084 4.880230 -0.378328
H 5.287522 5.225364 1.145225
H -5.606862 0.291651 2.798502
H -6.699513 -0.823012 1.850698
H -4.932599 -0.700547 1.411099


