%chk=000157009.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157009

0 1
 S   -3.738900     -0.4901000     -0.4189000    
 O  -4.4399999E-02   1.775500      -1.931400    
 O    2.762600       3.539100     -0.3324000    
 O    1.481100       2.081100       2.222300    
 O   -1.716400       2.845700       2.631200    
 O    3.925700      0.8713000       1.057300    
 O   -2.195600      0.6210000       2.404600    
 O    6.244100     -8.4799998E-02 -0.9212000    
 O    5.902200      -2.107100      4.1600000E-02
 O   0.6953000      -5.176900      0.8109000    
 N  -1.9099999E-02   2.229600      0.4174000    
 N    2.505300       1.145200     -0.7570000    
 N   -6.177300      -1.796100     -0.3704000    
 N   -6.376900      0.3613000     -0.4648000    
 N   -7.497400      -1.564400     -0.3840000    
 N   -7.613400     -0.2433000     -0.4412000    
 C    1.886800       2.395900     -0.3047000    
 C   0.4719000       2.616000     -0.8884000    
 C    1.157500       2.242000       1.069300    
 C   -1.312600       1.871700      0.5863000    
 C   -2.082400       1.647900     -0.5045000    
 C   -1.482600       1.697400      -1.917400    
 C    3.486100      0.4830000     -2.3600001E-02
 C   -3.546200       1.300100     -0.4948000    
 C   -1.793000       1.678900       1.958600    
 C    3.112100       4.010100      -1.625800    
 C    3.972000     -0.7997000     -0.6960000    
 C    3.093000      -1.973400     -0.2923000    
 C    5.448800      -1.088000     -0.4627000    
 C    3.023500      -2.364600       1.044800    
 C    2.356600      -2.658800      -1.258600    
 C   -5.503000     -0.6178000     -0.4197000    
 C    2.217600      -3.440900       1.415600    
 C    1.550700      -3.735200     -0.8879000    
 C    1.481200      -4.126300      0.4494000    
 C   -5.675300      -3.145500     -0.3115000    
 H   0.2475000       3.669800      -1.103900    
 H    2.211300      0.7346000      -1.640100    
 H   -1.749400      0.7950000      -2.476100    
 H   -1.875600       2.565900      -2.457400    
 H   -4.039000       1.701700      -1.387500    
 H   -4.040400       1.755700      0.3706000    
 H    3.885500     -0.6667000      -1.784200    
 H    3.585400       3.216700      -2.211400    
 H    2.232000       4.389900      -2.151100    
 H    3.826800       4.829400      -1.510600    
 H   -2.029600       2.759000       3.556800    
 H    3.590500      -1.843400       1.811400    
 H    2.399400      -2.365700      -2.304100    
 H    2.172300      -3.735800       2.460600    
 H   0.9792000      -4.265000      -1.645000    
 H    7.195300     -0.2818000     -0.7849000    
 H   -5.070300      -3.330800      -1.202300    
 H   -6.513900      -3.846400     -0.2838000    
 H   -5.075100      -3.254100      0.5951000    
 H   0.7671000      -5.308000       1.772000    


%chk=000157009-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157009

0 1
S -3.799102 -0.563005 0.845617
O -0.301944 1.937156 -1.440667
O 2.696242 3.604706 -0.067518
O 1.682297 1.664167 2.377746
O -0.959266 2.722678 3.459935
O 4.326684 0.934743 0.017025
O -2.830233 1.392687 3.083417
O 5.416989 -0.954198 -2.378449
O 5.068131 -2.299498 -0.516646
O -0.949321 -3.938572 1.068501
N -0.092091 2.499626 0.908657
N 2.199395 1.337522 -0.888893
N -3.896288 -2.666402 -0.995937
N -3.527717 -0.702396 -1.980739
N -3.767051 -2.920723 -2.382891
N -3.549088 -1.724276 -2.955082
C 1.797443 2.505002 -0.114402
C 0.288270 2.853905 -0.477014
C 1.236443 2.144775 1.333904
C -1.401460 2.067883 1.217545
C -2.244617 1.749146 0.168548
C -1.767898 1.838164 -1.276748
C 3.338916 0.569964 -0.669472
C -3.668114 1.304453 0.337539
C -1.818808 1.998911 2.643396
C 3.414126 3.903986 -1.323213
C 3.248022 -0.826199 -1.372071
C 2.163723 -1.679711 -0.719880
C 4.638630 -1.463020 -1.331425
C 2.219041 -1.976171 0.665395
C 1.066675 -2.157666 -1.479628
C -3.742122 -1.318417 -0.781612
C 1.196994 -2.726968 1.277711
C 0.036004 -2.911848 -0.879726
C 0.107311 -3.190426 0.502409
C -4.098577 -3.762520 -0.043126
H 0.090568 3.907748 -0.740602
H 1.430179 0.936138 -1.444606
H -2.078300 0.930661 -1.826524
H -2.252999 2.708038 -1.772464
H -4.242840 1.392442 -0.597379
H -4.187762 1.792766 1.173339
H 3.000048 -0.654579 -2.436381
H 4.164511 3.122157 -1.530072
H 2.719468 4.004506 -2.180559
H 3.916472 4.863544 -1.131208
H -1.222355 2.611047 4.412851
H 3.060953 -1.617844 1.265735
H 1.012276 -1.948547 -2.555129
H 1.248206 -2.943668 2.352513
H -0.804490 -3.291431 -1.468925
H 6.343564 -1.310126 -2.303516
H -3.158718 -3.965582 0.499016
H -4.395508 -4.652487 -0.616809
H -4.900437 -3.497723 0.666791
H -0.771876 -4.114617 2.025924


