%chk=000059257.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059257

0 1
 S  -0.1786000      0.7995000      -1.817900    
 O   -1.020000      -4.128500     -0.3754000    
 N    3.248600     -0.8119000      0.7847000    
 N  -0.6401000       2.434800      0.1846000    
 N   -2.675700       2.640100       1.457600    
 C    1.129500      -1.153100     -0.3026000    
 C    1.183500      0.1579000     -0.7865000    
 C    2.271000      0.9837000     -0.4839000    
 C    2.198700      -1.603000      0.4903000    
 C    3.295600      0.4501000      0.3161000    
 C   4.8799999E-02  -2.004800     -0.5908000    
 C    2.351200       2.305200     -0.9565000    
 C    2.150900      -2.907400      0.9750000    
 C   2.5100000E-02  -3.304600     -9.4099998E-02
 C    4.381000       1.267300      0.6208000    
 C   -1.233500       1.467900     -0.5511000    
 C    1.078500      -3.756500      0.6904000    
 C   -2.549500       1.044200     -0.3280000    
 C    3.447100       3.101400     -0.6375000    
 C    4.463900       2.581100      0.1528000    
 C   -3.247200       1.676600      0.7141000    
 C   -3.157100      3.7999999E-02  -1.099000    
 C   -4.558000       1.273700      0.9569000    
 C   -4.468300     -0.3448000     -0.8345000    
 C   -5.169200      0.2738000      0.1947000    
 C   -1.403500       2.967000       1.152500    
 C  -0.9725000      -5.447500      0.1674000    
 H  -0.7877000      -1.711000      -1.213300    
 H    1.595500       2.763500      -1.586200    
 H    2.965000      -3.283900       1.592000    
 H    5.190600      0.8826000       1.238300    
 H    1.133700      -4.753700       1.113500    
 H    3.508300       4.121000      -1.005400    
 H    5.323800       3.193700      0.4072000    
 H   -2.649600     -0.4586000      -1.919800    
 H   -5.128600       1.742300       1.756500    
 H   -4.942400      -1.119300      -1.429600    
 H   -6.193500     -1.8600000E-02  0.4072000    
 H  -0.9485000       3.743300       1.755400    
 H  -0.9857000      -5.432300       1.262500    
 H  -0.1240000      -6.015200     -0.2294000    
 H   -1.882300      -5.963400     -0.1565000    


%chk=000059257-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059257

0 1
S -0.468961 0.328446 -1.567601
O -0.493553 -4.607240 0.291450
N 3.590596 -0.763207 0.574755
N -1.005836 0.848466 1.083735
N -3.127686 1.589774 2.032615
C 1.284473 -1.392822 -0.149871
C 1.108574 -0.089023 -0.696204
C 2.145666 0.878299 -0.620580
C 2.574651 -1.673074 0.490221
C 3.395022 0.479141 0.036255
C 0.295009 -2.423093 -0.184783
C 2.047686 2.217826 -1.139472
C 2.789208 -2.972560 1.065536
C 0.546239 -3.672548 0.385804
C 4.471473 1.429405 0.133564
C -1.532460 0.829893 -0.145457
C 1.808322 -3.954609 1.022538
C -2.908013 1.187315 -0.412017
C 3.110783 3.107624 -1.024088
C 4.336797 2.712751 -0.383459
C -3.681832 1.572236 0.751295
C -3.526604 1.183732 -1.699216
C -5.051269 1.943550 0.586637
C -4.869388 1.552276 -1.832070
C -5.633530 1.933739 -0.684603
C -1.838354 1.230345 2.124658
C -0.293088 -5.934270 0.882017
H -0.671039 -2.243943 -0.664059
H 1.117126 2.522576 -1.628577
H 3.759206 -3.151701 1.538623
H 5.386736 1.093713 0.630418
H 2.000034 -4.934609 1.469206
H 3.016384 4.123472 -1.423587
H 5.160623 3.430389 -0.304520
H -2.946205 0.889231 -2.580634
H -5.612339 2.229551 1.481242
H -5.342274 1.548386 -2.819879
H -6.684021 2.218916 -0.807015
H -1.378661 1.234869 3.117382
H -0.122749 -5.869972 1.973908
H 0.549100 -6.468569 0.401601
H -1.231048 -6.474082 0.686735


