%chk=000063853.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063853

0 1
 S   -1.538300       1.890600     -0.1654000    
 O   0.9673000       2.699100      0.2144000    
 N   0.6454000      0.3656000      0.1711000    
 N    2.553300      -1.053400     -6.4999998E-02
 N   -4.985200       1.653500     -0.7284000    
 N   -1.528100     -0.3095000       1.148300    
 N   -2.829400      0.1574000       1.210800    
 C    1.269500     -0.8947000      4.5100000E-02
 C    2.859400       1.372900     -5.7100002E-02
 C    1.400700       1.554900      0.1003000    
 C    3.374800      7.7399999E-02 -0.1025000    
 C  -0.7587000      0.5008000      0.4613000    
 C   0.4517000      -2.127900     -5.0299998E-02
 C   -4.231200       2.055800      0.4458000    
 C   -2.970900       1.296100      0.5670000    
 C    3.710900       2.482400     -0.1261000    
 C    4.759000     -9.7499996E-02 -0.2192000    
 C   0.1556000      -2.849500       1.100700    
 C  -1.2900000E-02  -2.550400      -1.290700    
 C    5.087300       2.294000     -0.2425000    
 C    5.611900       1.004900     -0.2877000    
 C   -6.232500       2.416700     -0.8335000    
 C   -5.276000      0.2171000     -0.6943000    
 C  -0.6151000      -4.008400       1.010000    
 C  -0.7836000      -3.709400      -1.381200    
 C   -1.084900      -4.438500     -0.2309000    
 H   -4.821100       1.907100       1.360900    
 H   -4.013300       3.130900      0.3994000    
 H    3.323200       3.496600     -8.7399997E-02
 H    5.182100      -1.098500     -0.2616000    
 H   0.5176000      -2.522400       2.071600    
 H   0.2158000      -1.988200      -2.192100    
 H    5.750400       3.152500     -0.2959000    
 H    6.683900      0.8569000     -0.3786000    
 H   -6.022100       3.490400     -0.8923000    
 H   -6.897800       2.240800      1.9600000E-02
 H   -6.769300       2.152800      -1.751600    
 H   -5.935500     -5.5199999E-02  -1.527500    
 H   -5.772400     -8.7099999E-02  0.2347000    
 H   -4.375400     -0.3890000     -0.8366000    
 H  -0.8498000      -4.575900       1.905800    
 H   -1.149800      -4.043900      -2.347500    
 H   -1.685300      -5.340700     -0.3015000    


%chk=000063853-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063853

0 1
S -1.852755 1.572920 -0.685779
O 0.975638 2.755238 -0.490102
N 0.689239 0.466772 0.012887
N 2.566783 -1.039299 0.162165
N -5.012719 1.602205 -0.768602
N -1.150759 0.251010 1.542748
N -2.521260 0.535499 1.688575
C 1.260115 -0.845504 0.119582
C 2.957796 1.373556 -0.239490
C 1.511454 1.634394 -0.277149
C 3.436955 0.055123 0.042712
C -0.661797 0.696899 0.382741
C 0.365631 -2.034711 0.106147
C -4.446496 1.721474 0.592315
C -3.037966 1.197869 0.655001
C 3.871878 2.442278 -0.430610
C 4.837274 -0.167780 0.147181
C 0.717414 -3.157744 0.897393
C -0.775527 -2.106052 -0.736070
C 5.252993 2.207704 -0.326712
C 5.732823 0.899756 -0.031887
C -6.162250 2.501986 -0.994858
C -5.301617 0.202513 -1.147107
C -0.073830 -4.323832 0.869115
C -1.555327 -3.280336 -0.774357
C -1.214911 -4.388854 0.035387
H -5.036804 1.189307 1.376840
H -4.437151 2.794672 0.866212
H 3.470621 3.437893 -0.645408
H 5.183638 -1.184014 0.356767
H 1.610790 -3.098003 1.526073
H -1.034128 -1.265913 -1.389218
H 5.961903 3.029647 -0.470148
H 6.810999 0.723518 0.048949
H -5.866952 3.545627 -0.787004
H -7.052482 2.256809 -0.364220
H -6.469301 2.439956 -2.053615
H -5.598949 0.163800 -2.209496
H -6.118192 -0.255211 -0.535856
H -4.394909 -0.415130 -1.021229
H 0.197881 -5.180406 1.495315
H -2.425420 -3.332680 -1.438077
H -1.829125 -5.295854 0.012289


