%chk=000039849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039849

0 1
 S   -3.048300      -2.657900      -1.653200    
 O  -0.7046000      -1.780500       1.973000    
 O   -2.245300       1.176500      0.6464000    
 O   -4.469300      0.9673000       1.240100    
 O    1.871100      -3.349800       1.061000    
 O  -0.9119000       3.137700      0.8045000    
 O   0.7880000       3.713100     -0.4748000    
 O   -1.043800       2.718800      -1.458600    
 N   -1.851400      -1.088400      2.9800000E-02
 N   0.9542000      -2.310200     -0.7978000    
 N    4.321900      -3.428700     -0.2114000    
 C   -1.512100      -1.758400      -1.229100    
 C   -4.088200      -1.342800     -0.8414000    
 C   -3.246600     -0.9153000      0.3803000    
 C  -0.4457000      -2.540500     -0.4503000    
 C  -0.9271000      -1.751800      0.7838000    
 C   -5.421700      -1.957500     -0.4125000    
 C   -4.328900     -0.2294000      -1.869900    
 C   -3.420600      0.5062000      0.8109000    
 C    2.015600      -2.742000      1.4000000E-03
 C    3.379800      -2.362600     -0.5639000    
 C   -2.222900       2.570600       1.011600    
 C    3.820900      -1.008800     -4.7300000E-02
 C   -2.535900       2.699100       2.495600    
 C    4.634200     -0.2172000     -0.8386000    
 C    3.400700     -0.5949000       1.204000    
 C    5.040800       1.029400     -0.3628000    
 C    3.807100      0.6517000       1.679900    
 C  -0.4505000       3.145700     -0.4773000    
 C    4.627200       1.463800      0.8964000    
 C    1.428400       3.804000      -1.751800    
 C    2.785100       4.452700      -1.577800    
 H   -1.151600      -1.058000      -1.988700    
 H   -3.443800      -1.550500       1.253900    
 H  -0.6453000      -3.615500     -0.3564000    
 H   -6.044600      -1.213800      9.7400002E-02
 H   -5.280900      -2.794700      0.2811000    
 H   -5.991800      -2.326500      -1.273000    
 H   -4.987700      0.5464000      -1.463800    
 H   -4.817000     -0.6160000      -2.772700    
 H   -3.398300      0.2615000      -2.176100    
 H    1.179800      -1.806900      -1.652600    
 H    3.300000      -2.326400      -1.658200    
 H   -2.949600       3.131100      0.4103000    
 H    4.008500      -4.308300     -0.6213000    
 H    5.229400      -3.233200     -0.6332000    
 H   -3.579600       2.495000       2.741900    
 H   -1.917600       2.008500       3.080700    
 H   -2.308900       3.711900       2.846700    
 H    4.961900     -0.5478000      -1.819800    
 H    2.781000      -1.198900       1.856400    
 H    5.678600       1.662200     -0.9730000    
 H    3.488600      0.9891000       2.662000    
 H    4.943500       2.434600       1.266800    
 H   0.8126000       4.407600      -2.427900    
 H    1.550700       2.798600      -2.170100    
 H    3.308100       4.528600      -2.535200    
 H    2.680100       5.456000      -1.151900    
 H    3.402600       3.876400     -0.8819000    


%chk=000039849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039849

0 1
S -2.260262 -2.346763 -1.785979
O -0.723557 -2.002082 2.489773
O -1.959952 1.637509 0.775347
O -4.199859 1.162728 1.246995
O 1.812787 -4.657116 -0.732563
O -1.337378 3.857088 0.304220
O -0.940215 4.790917 -1.680569
O -2.987616 3.683883 -1.373442
N -1.373455 -1.022207 0.362328
N 1.524394 -2.474605 0.021196
N 4.479312 -4.601310 -0.192314
C -0.773807 -1.610758 -0.864618
C -3.331419 -0.853643 -1.119482
C -2.780674 -0.623381 0.356414
C 0.082607 -2.560284 0.059214
C -0.673201 -1.872379 1.254660
C -4.809022 -1.276059 -1.094325
C -3.092950 0.360681 -2.039907
C -3.073767 0.801761 0.837796
C 2.306012 -3.548152 -0.369253
C 3.845363 -3.300042 -0.403686
C -2.170873 3.055958 1.200279
C 4.312475 -2.246155 0.606829
C -1.653771 3.251376 2.611341
C 4.493641 -0.896799 0.210753
C 4.547614 -2.607377 1.957452
C 4.889956 0.082725 1.152206
C 4.941431 -1.631374 2.897358
C -1.869646 4.072770 -0.971158
C 5.110661 -0.282539 2.499708
C -1.347127 5.141351 -3.084101
C -0.174709 5.897210 -3.695023
H -0.215502 -0.915478 -1.508645
H -3.346718 -1.283894 1.042298
H -0.207148 -3.619585 -0.054712
H -5.415174 -0.475647 -0.631209
H -4.953924 -2.204042 -0.514230
H -5.184418 -1.441732 -2.119172
H -3.672752 1.241113 -1.705783
H -3.407309 0.110242 -3.066976
H -2.028571 0.652177 -2.067716
H 1.994921 -1.645443 0.395323
H 4.023811 -2.876985 -1.427238
H -3.239518 3.296845 1.060746
H 3.907281 -5.384481 -0.525362
H 5.467802 -4.649261 -0.443425
H -2.250387 2.642761 3.310912
H -0.597623 2.944262 2.677230
H -1.739201 4.312245 2.900907
H 4.344793 -0.613770 -0.840027
H 4.432954 -3.659675 2.237880
H 5.032861 1.121378 0.833494
H 5.117087 -1.918546 3.940238
H 5.419134 0.472866 3.231041
H -2.267338 5.750350 -3.032289
H -1.576864 4.202619 -3.619543
H -0.419290 6.181770 -4.734469
H 0.043255 6.816006 -3.125096
H 0.733747 5.271873 -3.710026


