%chk=000036190.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036190

0 1
 O  -0.1407000     -0.9622000     -0.7500000    
 O  -0.7667000       1.723400     -0.3989000    
 N    2.414200     -0.1308000      0.2042000    
 C    2.088300      -1.530600     -6.6299997E-02
 C    3.837400      0.1160000     -2.4900001E-02
 C    2.048200      0.2236000       1.575100    
 C   0.6068000      -1.804000      0.1185000    
 C    4.242100     -0.2436000      -1.439500    
 C    2.319900       1.685900       1.861500    
 C   -1.388300     -0.5875000     -0.3244000    
 C   -1.695100      0.7577000     -0.1511000    
 C   -2.340000      -1.569100     -6.8800002E-02
 C   -2.968500       1.126100      0.2828000    
 C   -3.613600      -1.200700      0.3650000    
 C   -3.927800      0.1468000      0.5407000    
 C  -0.7161000       2.249100      -1.723800    
 H    2.671600      -2.212100      0.5657000    
 H    2.302800      -1.775900      -1.111700    
 H    4.063700       1.181600      8.5900001E-02
 H    4.467400     -0.4309000      0.6880000    
 H   0.9746000      0.1011000       1.741700    
 H    2.567800     -0.4017000       2.312000    
 H   0.2868000      -1.722900       1.163800    
 H   0.4109000      -2.842000     -0.1796000    
 H    4.323500      -1.324400      -1.591700    
 H    3.549800      0.1711000      -2.180500    
 H    5.233000      0.1730000      -1.654100    
 H    3.386100       1.897300       1.988900    
 H    1.920400       2.335600       1.075100    
 H    1.832000       1.974200       2.799600    
 H   -2.111000      -2.621600     -0.2095000    
 H   -3.220000       2.173900      0.4228000    
 H   -4.361200      -1.963000      0.5642000    
 H   -4.919400      0.4336000      0.8783000    
 H   7.7200003E-02   3.000500      -1.763500    
 H   -1.665700       2.727700      -1.983100    
 H  -0.4844000       1.457700      -2.443600    


%chk=000036190-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036190

0 1
O -0.227079 -0.605604 -0.468235
O -1.514429 1.323768 -2.075220
N 2.640311 -0.254824 0.482197
C 1.952588 -1.505059 0.080184
C 3.828451 0.033768 -0.369153
C 2.953227 -0.221043 1.937069
C 0.462419 -1.538213 0.433154
C 3.458438 0.591694 -1.756330
C 3.107004 1.209841 2.486526
C -1.609856 -0.429738 -0.300985
C -2.224357 0.562720 -1.128435
C -2.406549 -1.181157 0.596373
C -3.621893 0.744947 -1.067584
C -3.805310 -0.978327 0.652244
C -4.417883 -0.023742 -0.187130
C -0.355376 2.101511 -1.579534
H 2.431745 -2.409927 0.537153
H 2.034556 -1.621143 -1.014654
H 4.444406 0.784355 0.157822
H 4.472405 -0.875714 -0.484989
H 2.120017 -0.710596 2.475656
H 3.871042 -0.820443 2.170239
H 0.283324 -1.241550 1.486755
H 0.066256 -2.564680 0.280962
H 2.820470 -0.105104 -2.328943
H 2.904517 1.540113 -1.648917
H 4.371929 0.779131 -2.351309
H 3.953395 1.745438 2.019920
H 2.188306 1.789297 2.290220
H 3.288148 1.187132 3.577395
H -1.949294 -1.938892 1.239952
H -4.062668 1.501570 -1.724628
H -4.408307 -1.572440 1.347457
H -5.501284 0.131610 -0.153857
H 0.063984 2.583994 -2.476142
H 0.391435 1.445737 -1.102695
H -0.698086 2.874468 -0.863738


