%chk=000037648.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037648

0 1
 O   0.1116000      -1.216000      -1.376300    
 N   2.8999999E-02  0.9053000     -0.3489000    
 N    4.284600      0.2937000      0.3362000    
 C   -2.053000     -0.1437000     -0.8549000    
 C   -2.229900       1.204500     -0.1822000    
 C  -0.5019000     -0.2636000     -0.9143000    
 C  -0.9825000       1.770800      8.7099999E-02
 C   -2.629700     -0.1647000      -2.267500    
 C    1.441200       1.181700     -0.2311000    
 C    1.996800      0.8158000       1.143900    
 C    3.500200       1.059900       1.304100    
 C   -2.612900      -1.262000     -3.4499999E-02
 C    4.057200      -1.147200      0.5155000    
 C    5.711500      0.6250000      0.4538000    
 C    4.832400      -1.961600     -0.5213000    
 C    6.540900     -0.1316000     -0.5850000    
 C    6.321100      -1.636500     -0.4812000    
 C   -3.397400       1.871100      0.1555000    
 C  -0.8600000       3.006700      0.6987000    
 C   -2.045700      0.9448000      -3.121100    
 C   -2.115600      -1.500100       1.244500    
 C   -3.629200      -2.060900     -0.5530000    
 C   -3.291500       3.119200      0.7737000    
 C   -2.032900       3.681900       1.043300    
 C   -2.637500      -2.543200       2.009600    
 C   -4.151300      -3.103900      0.2120000    
 C   -3.655300      -3.345100       1.493300    
 H   -2.413200      -1.113200      -2.777000    
 H   -3.716900     -1.1000000E-02  -2.268400    
 H    1.626100       2.236700     -0.4627000    
 H    1.953400      0.5955000      -1.002500    
 H    1.717400     -0.2091000       1.412500    
 H    1.489200       1.435300       1.895800    
 H    3.796200      0.8190000       2.333400    
 H    3.685900       2.132000       1.160400    
 H    3.006500      -1.413900      0.3695000    
 H    4.342800      -1.467700       1.526100    
 H    6.084700      0.3948000       1.460500    
 H    5.858700       1.699400      0.2895000    
 H    4.683700      -3.032000     -0.3389000    
 H    4.439100      -1.750200      -1.524000    
 H    6.267700      0.2090000      -1.591900    
 H    7.603900      9.6900001E-02 -0.4479000    
 H    6.751200      -2.005400      0.4581000    
 H    6.840700      -2.150100      -1.297500    
 H   -4.371600       1.441500     -5.1500000E-02
 H   0.1044000       3.452700      0.9132000    
 H   -2.466200      0.8818000      -4.131500    
 H   -2.289400       1.942800      -2.745200    
 H  -0.9598000      0.8658000      -3.229000    
 H   -1.324400     -0.8918000       1.673700    
 H   -4.069600      -1.937200      -1.534800    
 H   -4.191700       3.662100       1.049300    
 H   -1.973100       4.654100       1.525200    
 H   -2.251800      -2.731000       3.007300    
 H   -4.944600      -3.728600     -0.1884000    
 H   -4.061900      -4.157100       2.089000    


%chk=000037648-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037648

0 1
O 0.263963 -1.053812 -1.220441
N 0.069221 1.042543 -0.153849
N 4.241656 0.131021 0.378192
C -2.004872 -0.028518 -0.732560
C -2.230075 1.351751 -0.123166
C -0.441760 -0.119648 -0.749217
C -0.975598 1.926983 0.219286
C -2.545522 -0.124095 -2.203238
C 1.509987 1.265849 0.031800
C 2.014904 0.762944 1.404356
C 3.555352 0.813909 1.503486
C -2.564568 -1.203837 0.109128
C 3.970516 -1.331417 0.331221
C 5.699808 0.415272 0.384588
C 4.622542 -1.980344 -0.906560
C 6.393307 -0.175108 -0.859210
C 6.140041 -1.696996 -0.952365
C -3.407984 2.083751 0.086968
C -0.873625 3.204305 0.802051
C -1.986829 0.943653 -3.165877
C -3.358494 -1.002497 1.265835
C -2.273153 -2.537311 -0.288850
C -3.328842 3.379451 0.664286
C -2.074214 3.924927 1.023295
C -3.868254 -2.103297 1.993243
C -2.779872 -3.634647 0.438532
C -3.586996 -3.424207 1.581116
H -2.298688 -1.130435 -2.587201
H -3.649926 -0.058348 -2.156386
H 1.730244 2.341613 -0.100560
H 2.042719 0.716472 -0.762391
H 1.649968 -0.269022 1.556969
H 1.588416 1.372796 2.224433
H 3.862061 0.388710 2.495458
H 3.885786 1.872298 1.495452
H 2.879560 -1.494104 0.286711
H 4.352296 -1.834057 1.260598
H 6.188117 -0.002854 1.306575
H 5.837586 1.513364 0.411880
H 4.426517 -3.069563 -0.888431
H 4.138409 -1.572634 -1.814717
H 5.989035 0.323047 -1.761808
H 7.478267 0.041286 -0.812392
H 6.636795 -2.204844 -0.099157
H 6.585420 -2.109217 -1.877687
H -4.380802 1.665049 -0.195026
H 0.094787 3.637617 1.071714
H -2.434852 0.822195 -4.168824
H -2.211930 1.966930 -2.815995
H -0.891284 0.847905 -3.277101
H -3.574026 0.012884 1.610950
H -1.615704 -2.711038 -1.146868
H -4.243099 3.957862 0.834064
H -2.025421 4.922638 1.473969
H -4.481348 -1.924811 2.884231
H -2.539224 -4.654344 0.116844
H -3.982718 -4.276620 2.144847


