%chk=000063809.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063809

0 1
 S   -1.245300       2.738800     -0.6497000    
 O    1.342800       2.568500     -5.9300002E-02
 N   0.1431000      0.5426000      2.5800001E-02
 N    1.360900      -1.512000      9.6299998E-02
 N   -2.186500      0.8529000      0.8077000    
 N   -3.204800       1.783600      0.6968000    
 C   0.2355000     -0.8661000      5.6000002E-02
 C    2.584700      0.6014000     -3.2000002E-02
 C    2.557800     -0.7897000      6.8800002E-02
 C    1.304300       1.340300     -4.6000000E-02
 C  -0.9882000      -1.698000     -4.0800001E-02
 C   -1.115000       1.231800      0.1527000    
 C    3.803100       1.289400     -8.6000003E-02
 C    3.769600      -1.489500      0.1146000    
 C   -1.622800      -2.125300       1.119900    
 C   -1.488700      -2.043000      -1.290900    
 C    5.002600      0.5802000     -3.9799999E-02
 C    4.986400     -0.8085000      6.1700001E-02
 C   -2.773700      -2.908300       1.029300    
 C   -2.639600      -2.826000      -1.381600    
 C   -3.282100      -3.258600     -0.2216000    
 C   -2.845400       2.815400     -3.6499999E-02
 C   -3.698800       3.980000     -0.3454000    
 H    3.838600       2.372800     -0.1602000    
 H    3.772100      -2.574500      0.1879000    
 H   -1.233400      -1.858100       2.098600    
 H  -0.9952000      -1.709800      -2.199800    
 H    5.949200       1.111000     -8.1200004E-02
 H    5.920200      -1.361900      9.7499996E-02
 H   -3.273900      -3.245200       1.932500    
 H   -3.035600      -3.098500      -2.355500    
 H   -4.178200      -3.868000     -0.2923000    
 H   -4.683200       3.869500      0.1209000    
 H   -3.850800       4.080500      -1.424800    
 H   -3.252800       4.905400      3.2800000E-02


%chk=000063809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063809

0 1
S -1.507603 2.540029 -1.335005
O 1.486382 2.555938 -0.740732
N 0.265616 0.610355 -0.193591
N 1.370910 -1.473645 0.302141
N -1.705421 1.277726 1.016253
N -2.851267 2.082836 0.928334
C 0.258798 -0.803771 0.054323
C 2.721911 0.557224 -0.126207
C 2.607045 -0.811714 0.273778
C 1.510680 1.343117 -0.399101
C -1.018366 -1.562745 -0.030962
C -0.922236 1.372716 -0.058047
C 3.997420 1.173951 -0.212686
C 3.783136 -1.541819 0.598141
C -1.204666 -2.662414 0.845839
C -2.009100 -1.275940 -1.007046
C 5.151184 0.440722 0.110051
C 5.039603 -0.918497 0.520258
C -2.372847 -3.446381 0.766732
C -3.169399 -2.072712 -1.094122
C -3.361368 -3.153058 -0.201912
C -2.927294 2.792197 -0.199086
C -4.028844 3.757896 -0.507301
H 4.048554 2.222660 -0.522497
H 3.674756 -2.589129 0.894751
H -0.424465 -2.886214 1.579250
H -1.863308 -0.458937 -1.721397
H 6.137020 0.912934 0.048440
H 5.943208 -1.484569 0.771360
H -2.513381 -4.284253 1.457962
H -3.922611 -1.851563 -1.858080
H -4.269376 -3.762921 -0.264566
H -4.753101 3.743837 0.322735
H -4.553945 3.492944 -1.442259
H -3.640721 4.786300 -0.619350


