%chk=000066855.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066855

0 1
 S    1.463600       2.455000     -0.2416000    
 O    1.410600       3.770000      0.3864000    
 O    1.868600       2.359900      -1.638800    
 O   -3.963500      -1.614700      -1.403000    
 N    2.472300       1.442900      0.7211000    
 N   -3.876400     -5.4400001E-02  0.3623000    
 N    1.911800     -0.7238000       1.467000    
 N    2.920900     -0.3893000     -0.6957000    
 C  -0.1084000       1.716700     -6.3800000E-02
 C  -0.5177000      0.7245000     -0.9547000    
 C  -0.9550000       2.118500      0.9695000    
 C   -2.620200      0.5363000      0.2202000    
 C   -1.773600      0.1345000     -0.8128000    
 C   -2.210900       1.528300       1.111500    
 C    2.432800      2.5100000E-02  0.4834000    
 C    1.890000      -2.048400       1.210800    
 C    2.868100      -1.723900     -0.8854000    
 C    2.359000      -2.610700      4.1400000E-02
 C    1.320400      -2.927600       2.273000    
 C    3.398000      -2.238500      -2.181500    
 C   -4.455300      -1.056400     -0.4276000    
 C   -5.835000      -1.423800      5.8200002E-02
 H   0.1260000      0.3955000      -1.765900    
 H  -0.6544000       2.883500       1.679800    
 H    2.496200       1.679800       1.721500    
 H   -2.019500     -0.6266000      -1.540100    
 H   -2.859800       1.849800       1.922300    
 H    2.328900      -3.678600     -0.1380000    
 H   -4.434200      0.2931000       1.139600    
 H    2.072500      -3.643800       2.618700    
 H   0.9922000      -2.339300       3.136300    
 H   0.4537000      -3.475400       1.889300    
 H    3.764800      -1.419700      -2.809300    
 H    4.229800      -2.928200      -2.006200    
 H    2.610500      -2.760500      -2.734300    
 H   -5.774900      -1.819800       1.075800    
 H   -6.267300      -2.186500     -0.5954000    
 H   -6.480000     -0.5406000      4.6900000E-02


%chk=000066855-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066855

0 1
S 1.244640 2.107996 0.343582
O 1.211692 3.428378 1.295463
O 2.020755 2.117931 -1.076166
O -4.477287 -1.063705 -2.271019
N 1.986381 0.878739 1.513481
N -4.535468 0.419191 -0.449721
N 3.358166 -0.948931 1.971537
N 1.880510 -0.946253 0.018056
C -0.519034 1.521512 0.095467
C -0.809713 0.648510 -0.962879
C -1.493081 2.042984 0.962614
C -3.165052 0.762682 -0.304704
C -2.149700 0.263124 -1.168585
C -2.827964 1.653276 0.754386
C 2.429834 -0.386924 1.136911
C 3.762762 -2.218779 1.659257
C 2.313098 -2.204785 -0.302706
C 3.258829 -2.880318 0.509715
C 4.769224 -2.852280 2.588339
C 1.731502 -2.817878 -1.553282
C -5.128789 -0.442744 -1.383111
C -6.642916 -0.578828 -1.248071
H -0.004978 0.275157 -1.601328
H -1.213811 2.743816 1.755163
H 2.472861 1.346067 2.289244
H -2.423704 -0.414005 -1.978614
H -3.612017 2.044824 1.414072
H 3.596131 -3.886980 0.252366
H -5.170116 0.859434 0.220178
H 5.058107 -3.860936 2.250904
H 5.674103 -2.222366 2.654588
H 4.353270 -2.921583 3.609573
H 0.628294 -2.831635 -1.495040
H 2.001090 -2.207619 -2.434405
H 2.094112 -3.846553 -1.710660
H -6.893781 -1.642559 -1.095970
H -7.115417 -0.265968 -2.195075
H -7.077932 0.010908 -0.422659


