%chk=000063762.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063762

0 1
 O   -3.291400     -0.9615000     -0.7073000    
 N    2.200000      0.4939000      0.7704000    
 N    4.668400      0.9997000     -0.6473000    
 N   -1.122000     -0.7378000      0.1833000    
 N  -0.3326000       1.433300      0.7523000    
 C    3.496900      9.7800002E-02   1.333100    
 C    2.252900      0.4811000     -0.6965000    
 C    4.616000       1.010500      0.8198000    
 C    3.371100       1.394800      -1.209700    
 C    1.134100     -0.3784000       1.259200    
 C  -0.1669000      0.1478000      0.6879000    
 C    5.733500       1.873600      -1.135100    
 C   -2.388800     -0.2759000     -0.2325000    
 C   -1.549300       1.979200      0.3314000    
 C   -2.596500       1.184200     -0.1341000    
 C  -0.8529000      -2.140200      2.0600000E-02
 C   -3.811400       1.759800     -0.5251000    
 C   -1.731000       3.365300      0.4031000    
 C  -0.2842000      -2.597100      -1.161700    
 C   -1.165200      -3.022700       1.047300    
 C   -3.979400       3.141600     -0.4481000    
 C   -2.939700       3.944500      1.4600000E-02
 C  -2.3499999E-02  -3.958200      -1.320000    
 C  -0.9045000      -4.383700      0.8889000    
 C  -0.3336000      -4.851600     -0.2947000    
 H    3.464500      0.1733000       2.426700    
 H    3.730000     -0.9466000       1.084500    
 H    2.418300     -0.5397000      -1.068500    
 H    1.325600      0.8395000      -1.155300    
 H    4.462900       2.030200       1.198700    
 H    5.568400      0.6505000       1.227300    
 H    3.404600       1.318100      -2.303300    
 H    3.137500       2.439200     -0.9620000    
 H    1.328600      -1.422600       1.006200    
 H    1.056100     -0.3054000       2.350900    
 H    5.579400       2.918600     -0.8429000    
 H    5.798300       1.827300      -2.227900    
 H    6.705400       1.547400     -0.7488000    
 H   -4.633500       1.152000     -0.8926000    
 H  -0.9294000       4.003800      0.7670000    
 H  -3.8600001E-02  -1.908100      -1.965200    
 H   -1.609600      -2.666700       1.972800    
 H   -4.920400       3.592000     -0.7505000    
 H   -3.069800       5.021000      7.5000003E-02
 H   0.4214000      -4.322300      -2.241500    
 H   -1.145700      -5.079300       1.687400    
 H  -0.1303000      -5.911300     -0.4178000    


%chk=000063762-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063762

0 1
O -3.014752 -0.923810 -1.183380
N 2.218711 0.517381 0.713811
N 4.772060 0.732858 -0.629188
N -1.075557 -0.549329 0.104851
N -0.619060 1.580371 1.139446
C 3.490436 0.319949 1.451815
C 2.367982 0.130189 -0.709626
C 4.617834 1.128989 0.790701
C 3.500233 0.939410 -1.361913
C 1.081581 -0.147492 1.395148
C -0.266718 0.335054 0.865287
C 5.912266 1.405071 -1.280155
C -2.326683 -0.124625 -0.486982
C -1.831709 2.071014 0.629556
C -2.692617 1.269928 -0.186190
C -0.731806 -1.956555 -0.079919
C -3.905574 1.808108 -0.690728
C -2.209223 3.409661 0.930997
C -0.222407 -2.400129 -1.318288
C -0.963978 -2.869064 0.973143
C -4.264723 3.131054 -0.386205
C -3.412056 3.931095 0.428003
C 0.081613 -3.767431 -1.495170
C -0.654574 -4.235148 0.792631
C -0.128268 -4.685934 -0.440344
H 3.351770 0.665975 2.493441
H 3.792126 -0.758402 1.477630
H 2.590195 -0.961423 -0.819594
H 1.421199 0.345561 -1.239235
H 4.383030 2.219549 0.890498
H 5.569541 0.932446 1.319651
H 3.634869 0.604772 -2.407880
H 3.205165 2.019791 -1.376921
H 1.150368 -1.258045 1.340560
H 1.121788 0.144292 2.459982
H 5.804927 2.519112 -1.324072
H 6.023235 1.031940 -2.314332
H 6.843300 1.173281 -0.731893
H -4.539312 1.165433 -1.310554
H -1.534907 4.005269 1.553537
H -0.080512 -1.684787 -2.134453
H -1.390795 -2.511257 1.916550
H -5.199910 3.549715 -0.772810
H -3.697334 4.962890 0.661462
H 0.475658 -4.114996 -2.456093
H -0.831280 -4.944484 1.608268
H 0.107569 -5.746349 -0.581041


