%chk=000177919.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177919

0 1
 S   -2.924400      -1.349800      1.5300000E-02
 O   -2.237500      -2.097900       1.058200    
 O   -4.364500      -1.491600     -0.1476000    
 O    3.965200      -2.220100      0.4195000    
 O    3.460000       2.304300     -0.9016000    
 N  -0.2149000     -0.1549000      0.5848000    
 N  -0.9387000       2.098000      0.6579000    
 N    1.881900      -1.205700      0.5083000    
 N    1.625100       1.094200     -0.1634000    
 C   -2.543900      0.3418000      0.2286000    
 C   -2.181400      -1.775400      -1.543300    
 C   -1.260800      0.7959000      0.4885000    
 C   -3.561700       1.284600      0.1368000    
 C   -2.416400      -3.228200      -1.891400    
 C   -3.269700       2.633600      0.3051000    
 C   -1.954200       2.985200      0.5617000    
 C    1.157800     -8.5699998E-02  0.2979000    
 C    3.196200      -1.104400      0.2207000    
 C    2.947200       1.125100     -0.4303000    
 C    3.790000      4.6399999E-02 -0.2557000    
 C    3.299800      -3.377600      0.9120000    
 C    2.545000       3.382300      -1.062000    
 H   -2.622200      -1.126900      -2.306700    
 H   -1.108600      -1.579800      -1.488500    
 H   -4.589600       1.000000     -6.6699997E-02
 H   -1.955600      -3.468100      -2.854500    
 H   -1.985900      -3.891000      -1.133800    
 H   -3.485700      -3.451800      -1.961500    
 H  -0.4873000      -1.054500      0.9660000    
 H   -4.046700       3.386300      0.2371000    
 H   -1.673700       4.024100      0.7002000    
 H    4.848200      9.9500000E-02 -0.4789000    
 H    2.534100      -3.719700      0.2077000    
 H    2.865400      -3.190200       1.899700    
 H    4.042500      -4.174100       1.015800    
 H    2.100000       3.665500     -0.1021000    
 H    1.768400       3.132800      -1.792800    
 H    3.102400       4.243300      -1.442600    


%chk=000177919-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177919

0 1
S -2.977151 -1.487617 -0.111493
O -1.896897 -2.456662 0.682777
O -4.586680 -1.651140 0.132270
O 4.167153 -2.052481 0.869288
O 3.625145 2.307828 -1.005850
N -0.125201 -0.240455 0.410944
N -0.861200 2.032847 0.684083
N 2.003514 -1.123013 0.660309
N 1.726356 1.081829 -0.327847
C -2.501218 0.316298 0.259922
C -2.636983 -1.735806 -2.014822
C -1.139497 0.716317 0.434903
C -3.565194 1.214775 0.398139
C -2.855376 -3.207251 -2.349141
C -3.256695 2.569685 0.660280
C -1.890187 2.917464 0.775481
C 1.254978 -0.053052 0.247920
C 3.349157 -1.009572 0.485877
C 3.080765 1.164301 -0.457255
C 3.966836 0.136900 -0.065084
C 3.510499 -3.236127 1.469529
C 2.675840 3.380191 -1.385308
H -3.349898 -1.046149 -2.493821
H -1.596893 -1.393346 -2.140533
H -4.594981 0.850033 0.307109
H -2.630317 -3.372280 -3.418923
H -2.187695 -3.852020 -1.752302
H -3.900149 -3.509979 -2.165033
H -0.415485 -1.212415 0.640391
H -4.040627 3.322650 0.774384
H -1.595055 3.954116 0.975258
H 5.046443 0.219766 -0.179617
H 2.811943 -3.698402 0.752296
H 2.954832 -2.952115 2.378590
H 4.343264 -3.913708 1.706593
H 2.014429 3.629764 -0.539583
H 2.056075 3.058354 -2.239468
H 3.321951 4.225972 -1.661864


