%chk=000060545.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060545

0 1
 S   -4.474700      -1.503300     -0.2054000    
 O    2.566200      -1.332200     -0.7253000    
 O   -1.928600      -4.382400      0.1971000    
 O   1.5000000E-03  -1.663000      -1.410900    
 O    7.592100       1.690500       1.509200    
 O    7.649000       2.345000     -0.5854000    
 N   -2.055500      -2.059300      0.3770000    
 N  -0.7467000      -1.886800      0.7359000    
 N   -2.571100      0.2525000      0.4533000    
 N    7.123200       1.688000      0.3453000    
 C   -2.883100     -0.9812000      0.2588000    
 C   -4.009000      -3.258300     -0.2441000    
 C   -2.548100      -3.326000      0.1318000    
 C   -3.608300       1.184100      0.2668000    
 C   0.2420000      -1.692100     -0.2030000    
 C    1.649900      -1.513200      0.3354000    
 C   -5.657900       3.028400     -0.1012000    
 C   -4.421600       1.534400       1.339400    
 C   -3.810900       1.748200     -0.9883000    
 C   -5.449400       2.459200       1.154800    
 C   -4.838700       2.673000      -1.172900    
 C    3.690300     -0.5871000     -0.4614000    
 C   -6.756300       4.017800     -0.2982000    
 C    4.218600     -0.5777000      0.8225000    
 C    4.282000      0.1450000      -1.482000    
 C    5.962000      0.9174000      7.2999999E-02
 C    5.359800      0.1782000       1.091000    
 C    5.423200      0.9008000      -1.213500    
 H   -4.602000      -3.820400      0.4814000    
 H   -4.149000      -3.662000      -1.249800    
 H  -0.5513000      -1.910800       1.731800    
 H    1.609900     -0.6420000       1.002400    
 H    1.914600      -2.411100      0.9048000    
 H   -4.264500       1.098100       2.322200    
 H   -3.175700       1.479100      -1.828000    
 H   -6.079400       2.729700       1.998000    
 H   -4.989700       3.111400      -2.155800    
 H    3.794700      -1.160400       1.634500    
 H    3.864300      0.1341000      -2.484600    
 H   -7.147700       3.975500      -1.320300    
 H   -7.596300       3.814700      0.3747000    
 H   -6.388700       5.030500     -0.1051000    
 H    5.755700      0.1632000       2.103400    
 H    5.865300       1.464400      -2.031200    


%chk=000060545-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060545

0 1
S -4.419188 -2.179247 -1.179800
O 1.881258 -0.587043 -0.389960
O -1.015710 -4.071469 -2.115558
O -0.377512 -0.791869 -3.229958
O 7.691501 1.673405 1.038590
O 7.015387 0.866716 3.064698
N -1.738348 -2.057555 -1.127995
N -0.452628 -1.545251 -1.010290
N -2.689486 -0.154638 -0.100308
N 6.827124 1.093269 1.805669
C -2.856768 -1.262508 -0.722790
C -3.424094 -3.603412 -1.927946
C -1.939429 -3.309255 -1.755930
C -3.662157 0.781276 0.325524
C 0.144066 -0.915469 -2.093189
C 1.547386 -0.373383 -1.808643
C -5.490897 2.765097 1.291991
C -3.341702 1.570978 1.461543
C -4.900050 1.008206 -0.339457
C -4.249114 2.535235 1.941102
C -5.791443 1.987619 0.143191
C 3.122610 -0.147057 0.078568
C -6.448885 3.834151 1.785901
C 4.093895 0.492013 -0.735212
C 3.369113 -0.380280 1.456769
C 5.546786 0.663381 1.208773
C 5.313279 0.898747 -0.162666
C 4.583720 0.024953 2.027007
H -3.683016 -4.544028 -1.418467
H -3.658837 -3.684618 -3.000597
H -0.000377 -1.542865 -0.092304
H 2.265400 -0.904838 -2.462195
H 1.555236 0.705217 -2.054420
H -2.379366 1.405584 1.956299
H -5.152802 0.445200 -1.244760
H -3.988146 3.124495 2.828388
H -6.738475 2.153338 -0.384742
H 3.915426 0.674951 -1.798014
H 2.600544 -0.876582 2.055775
H -7.500113 3.559609 1.588240
H -6.339129 4.007279 2.870745
H -6.262355 4.800840 1.278302
H 6.084432 1.393843 -0.758584
H 4.802963 -0.140132 3.084811


