%chk=000134018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134018

0 1
 S   -2.728800      0.9775000     -0.3464000    
 O    3.692300     -0.2719000      0.5275000    
 O   -5.277200       2.082900     -0.8784000    
 O   -6.585500      0.2868000     -0.4454000    
 N   -2.625100      -1.495300      0.4000000    
 N    2.763500       3.190600      0.6741000    
 C    5.774600     -0.1375000     -0.6949000    
 C    4.416000     -0.8308000     -0.5610000    
 C    6.621000     -0.3218000      0.5664000    
 C    6.522900     -0.6636000      -1.917800    
 C    2.325100     -0.2903000      0.4348000    
 C  -0.4497000     -0.3865000      0.2422000    
 C    1.589900      0.8910000      0.4562000    
 C    1.682800      -1.519300      0.3180000    
 C   0.1991000      0.8428000      0.3596000    
 C   0.2921000      -1.567400      0.2212000    
 C   -1.887900     -0.4368000      0.1427000    
 C   -3.953600      -1.174800      0.1987000    
 C   -4.206700      0.1186000     -0.2075000    
 C   -4.964000      -2.227100      0.4332000    
 C    2.238100       2.161000      0.5766000    
 C   -5.438900      0.7720000     -0.4998000    
 H    5.605300      0.9394000     -0.8219000    
 H    3.855500     -0.7075000      -1.497500    
 H    4.552500      -1.904200     -0.3821000    
 H    7.590900      0.1755000      0.4582000    
 H    6.805500      -1.382400      0.7688000    
 H    6.125300      0.1094000       1.442200    
 H    7.483500     -0.1510000      -2.036300    
 H    5.941700     -0.4975000      -2.830900    
 H    6.720600      -1.737500      -1.832000    
 H    2.246200      -2.448100      0.3093000    
 H  -0.3354000       1.787900      0.4083000    
 H  -0.1907000      -2.537400      0.1293000    
 H   -5.530400      -2.431000     -0.4810000    
 H   -4.492400      -3.163200      0.7495000    
 H   -5.664100      -1.924100       1.218200    
 H   -6.138100       2.510800      -1.074000    


%chk=000134018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134018

0 1
S -3.020361 1.274711 0.354681
O 3.721130 0.239633 -0.373522
O -5.873932 1.963427 0.698677
O -6.824762 -0.144062 0.388928
N -2.618673 -1.318374 -0.154531
N 2.818247 3.553245 0.362959
C 6.033681 -0.444951 -0.700166
C 4.578604 -0.933860 -0.676278
C 6.465345 0.109208 0.675823
C 6.948668 -1.604121 -1.163070
C 2.351990 0.068534 -0.291902
C -0.492008 -0.056379 -0.086129
C 1.595125 1.250066 0.001690
C 1.674299 -1.164228 -0.476709
C 0.187647 1.173971 0.100171
C 0.275628 -1.221550 -0.374392
C -1.946837 -0.171783 0.005844
C -3.996694 -1.173301 -0.021764
C -4.421794 0.138690 0.252552
C -4.885995 -2.376491 -0.174486
C 2.271808 2.502917 0.196152
C -5.797649 0.582891 0.440937
H 6.092909 0.374198 -1.444023
H 4.279786 -1.351318 -1.659120
H 4.432147 -1.702148 0.111289
H 7.496895 0.502256 0.628958
H 6.441535 -0.686733 1.445652
H 5.800006 0.927070 1.000543
H 7.998998 -1.266124 -1.206493
H 6.670918 -1.973631 -2.168161
H 6.901797 -2.455982 -0.457351
H 2.233439 -2.076132 -0.700199
H -0.367541 2.091184 0.325034
H -0.255887 -2.167254 -0.515908
H -5.611467 -2.235089 -0.994588
H -4.265030 -3.262096 -0.378001
H -5.488386 -2.544972 0.735128
H -6.827686 2.217776 0.819876


