%chk=000227299.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227299

0 1
 S    1.513400      -1.832000     -0.1210000    
 O    2.417500      -2.919500      0.2204000    
 O    1.119400      -1.621300      -1.504300    
 O   -4.522600       2.302900      0.5791000    
 O   -5.100500       1.148000      -1.291400    
 N   0.1330000      -1.957400      0.8963000    
 C    3.507500      7.0000002E-03 -0.2703000    
 C    2.233100     -0.3383000      0.4861000    
 C    4.187700       1.279900      0.2383000    
 C    5.425300       1.669900     -0.5706000    
 C    6.024400       2.976300     -7.2200000E-02
 C   -1.004300      -1.131900      0.5874000    
 C   -1.772800      -1.414400     -0.5350000    
 C   -1.319800     -6.0899999E-02   1.414200    
 C   -2.874400     -0.6130000     -0.8355000    
 C   -2.421400      0.7403000       1.113900    
 C   -3.198700      0.4642000     -1.1000000E-02
 C   -4.346700       1.300100     -0.3245000    
 H    4.216900     -0.8270000     -0.2014000    
 H    3.276800      0.1260000      -1.336300    
 H    2.442700     -0.4774000       1.551400    
 H    1.500900      0.4652000      0.3645000    
 H    4.467600       1.143600       1.290300    
 H    3.464500       2.104700      0.2079000    
 H    5.159000       1.778000      -1.628400    
 H    6.177100      0.8752000     -0.5041000    
 H   0.3353000      -2.022100       1.903100    
 H    6.326500       2.894000      0.9768000    
 H    5.305200       3.796800     -0.1598000    
 H    6.909400       3.236100     -0.6613000    
 H   -1.539500      -2.258200      -1.178300    
 H  -0.7188000      0.1626000       2.291600    
 H   -3.468800     -0.8464000      -1.714900    
 H   -2.637500       1.569000       1.782300    
 H   -5.299300       2.860400      0.3590000    


%chk=000227299-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227299

0 1
S 1.327468 -0.841913 0.202188
O 1.917146 -2.260699 0.752379
O 0.747278 -0.695645 -1.310068
O -6.376797 -0.346846 0.360643
O -5.793430 1.299416 -1.171409
N -0.045092 -0.208299 1.520929
C 3.923931 0.189827 -0.323563
C 2.667467 0.520986 0.480044
C 5.015513 1.268269 -0.095245
C 6.307124 0.962039 -0.889794
C 7.403526 2.025755 -0.669009
C -1.372527 -0.106896 1.036431
C -1.681311 0.845387 0.021267
C -2.420068 -0.897317 1.597759
C -3.007463 1.012294 -0.402375
C -3.749917 -0.706048 1.189928
C -4.053636 0.247736 0.182477
C -5.440256 0.476021 -0.291257
H 4.311976 -0.800727 -0.018683
H 3.677862 0.133559 -1.401150
H 2.815603 0.509259 1.571879
H 2.151746 1.441322 0.162700
H 5.257840 1.332983 0.985372
H 4.628814 2.263689 -0.395166
H 6.063876 0.895355 -1.969107
H 6.689533 -0.034915 -0.592473
H 0.052285 -0.932640 2.260743
H 7.685747 2.091388 0.398618
H 7.058065 3.027056 -0.987976
H 8.315767 1.785273 -1.244409
H -0.878241 1.442361 -0.419438
H -2.181150 -1.649536 2.359483
H -3.261797 1.737581 -1.181757
H -4.558842 -1.296599 1.627896
H -7.279941 -0.149075 -0.005558


