%chk=000036269.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036269

0 1
 O   -2.524800      -2.836600     -0.4544000    
 O   -4.673900      -1.772200      0.9449000    
 O    4.200100      -1.867700     -0.5247000    
 O    4.949500     -0.1742000       1.547500    
 N   -1.823600       3.500400     -2.0099999E-02
 C  -0.6616000       1.595400     -0.9535000    
 C   0.5324000       1.124400      -1.715700    
 C   -1.656700      0.7288000     -0.4866000    
 C   -2.750200       1.265200      0.2244000    
 C    1.718800      0.7730000     -0.8414000    
 C   -1.597800     -0.6571000     -0.7060000    
 C  -0.7922000       2.951600     -0.6966000    
 C   -3.759700      0.4124000      0.7006000    
 C   -2.606700      -1.495300     -0.2280000    
 C   -3.685300     -0.9617000      0.4736000    
 C    2.416200     -0.3952000      -1.090200    
 C   -2.774400       2.647000      0.4226000    
 C    2.076100       1.628400      0.1852000    
 C    3.508100     -0.7192000     -0.2849000    
 C    3.167900       1.304600      0.9903000    
 C    3.884000      0.1309000      0.7552000    
 C   -1.389400      -3.302800      -1.180300    
 C   -5.742400      -1.146500       1.652700    
 C    3.760300      -3.043100      0.1530000    
 C    6.225300      0.3097000       1.132300    
 H   0.8641000       1.923600      -2.395300    
 H   0.2762000      0.3080000      -2.400600    
 H  -0.7465000      -1.057300      -1.239400    
 H  -5.7399999E-02   3.671300      -1.045300    
 H   -4.576400      0.8815000       1.240800    
 H    2.126400      -1.059200      -1.900100    
 H   -3.587400       3.125600      0.9618000    
 H    1.562300       2.560000      0.3877000    
 H    3.458400       1.973200       1.796300    
 H   -1.490500      -4.389500      -1.269900    
 H  -0.4565000      -3.117800     -0.6364000    
 H   -1.368000      -2.903800      -2.200300    
 H   -5.391600     -0.6672000       2.573000    
 H   -6.436300      -1.938700       1.953200    
 H   -6.304800     -0.4596000       1.011100    
 H    4.411800      -3.871100     -0.1393000    
 H    2.732300      -3.288400     -0.1327000    
 H    3.827700      -2.910500       1.237400    
 H    6.970700     -2.1299999E-02   1.860600    
 H    6.228500       1.403800       1.100400    
 H    6.490800     -9.5899999E-02  0.1510000    


%chk=000036269-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036269

0 1
O -2.092777 -2.688294 0.072699
O -4.352789 -1.834684 1.101033
O 4.097517 -1.796158 -0.957610
O 4.631233 -0.603327 1.668193
N -2.324571 3.794512 -0.534622
C -0.765490 1.979553 -1.148803
C 0.545616 1.588565 -1.816668
C -1.656118 1.000779 -0.576022
C -2.891167 1.468323 0.007034
C 1.602774 0.984843 -0.885747
C -1.381170 -0.405089 -0.560383
C -1.151042 3.327769 -1.097096
C -3.812457 0.528813 0.575146
C -2.284211 -1.310241 0.001693
C -3.530708 -0.837461 0.578077
C 2.368433 -0.131177 -1.301951
C -3.157133 2.876088 -0.004853
C 1.850873 1.535988 0.396894
C 3.366263 -0.684385 -0.471343
C 2.863481 1.005068 1.223165
C 3.640456 -0.092739 0.794872
C -0.837117 -3.218405 -0.468358
C -5.622768 -1.407391 1.695077
C 3.946392 -3.030154 -0.153793
C 6.015936 -0.510963 1.147548
H 0.968000 2.495304 -2.293932
H 0.348850 0.874861 -2.641531
H -0.436194 -0.762483 -0.973706
H -0.502423 4.101434 -1.526138
H -4.743144 0.909788 1.007394
H 2.202812 -0.597046 -2.280912
H -4.087760 3.257436 0.436403
H 1.252231 2.384158 0.746688
H 3.076995 1.432369 2.208399
H -0.888080 -4.302358 -0.291929
H 0.037808 -2.788541 0.057442
H -0.753264 -3.017267 -1.554084
H -5.454941 -0.734372 2.558338
H -6.104613 -2.335711 2.033600
H -6.264186 -0.901342 0.947536
H 4.614482 -3.769717 -0.620840
H 2.898998 -3.388745 -0.201387
H 4.232589 -2.856676 0.899068
H 6.649235 -0.982062 1.914667
H 6.303666 0.549942 1.021290
H 6.113284 -1.041905 0.183352


