%chk=000022051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022051

0 1
 O    1.296400       1.069100      -1.873300    
 N    3.375200      0.2654000     -4.7400001E-02
 C   -2.351700     -0.4863000     -0.2522000    
 C   -2.989100      -1.791600     -0.6584000    
 C   -4.342700      -2.034600      6.6000000E-03
 C   -5.215600     -0.7901000     -9.2500001E-02
 C   -4.568400      0.3765000      0.6513000    
 C   -3.105400      0.5508000      0.3285000    
 C  -0.3722000      0.9219000     -0.1788000    
 C    1.079600       1.119800     -0.4568000    
 C  -0.9882000     -0.2837000     -0.5133000    
 C    1.956500      5.5399999E-02  0.2320000    
 C   -2.471400       1.755100      0.6694000    
 C    4.185800     -0.7537000      0.6017000    
 C   -1.113000       1.939900      0.4142000    
 C    5.676700     -0.5756000      0.2735000    
 C    3.958600     -0.6760000       2.110700    
 C    5.988900     -0.6623000      -1.215100    
 H   -3.117900      -1.781800      -1.748100    
 H   -2.321600      -2.625900     -0.4114000    
 H   -4.840400      -2.885300     -0.4723000    
 H   -4.198400      -2.298800       1.062000    
 H   -6.207800     -0.9893000      0.3277000    
 H   -5.360200     -0.5263000      -1.148000    
 H   -4.660000      0.2118000       1.732300    
 H   -5.116100       1.295100      0.4088000    
 H    1.395800       2.117200     -0.1256000    
 H  -0.4209000      -1.077400     -0.9940000    
 H    1.683500     -0.9444000     -0.1254000    
 H    1.730900      0.1118000       1.301600    
 H   -3.036600       2.557600       1.137200    
 H    3.887700      -1.749400      0.2486000    
 H  -0.6484000       2.884200      0.6851000    
 H    3.654200       1.193900      0.2684000    
 H    6.034900      0.3893000      0.6546000    
 H    6.255000      -1.350700      0.7919000    
 H    2.993100      -1.093100       2.414000    
 H    4.037200      0.3497000       2.489200    
 H    4.715400      -1.269400       2.637900    
 H    2.251900       1.170800      -2.023100    
 H    5.643900      -1.613800      -1.632100    
 H    5.516100      0.1516000      -1.773000    
 H    7.069400     -0.5936000      -1.376900    


%chk=000022051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022051

0 1
O 1.527033 0.408780 -1.663381
N 3.407352 0.481650 0.248157
C -2.425931 -0.458706 -0.493616
C -3.130449 -1.612487 -1.205487
C -4.464648 -2.016839 -0.540166
C -5.317686 -0.762143 -0.248475
C -4.591827 0.152189 0.763678
C -3.124131 0.390422 0.410945
C -0.365861 0.866074 -0.170688
C 1.114073 1.088563 -0.439742
C -1.057864 -0.208927 -0.767121
C 2.001597 0.535923 0.723561
C -2.426225 1.474562 1.002593
C 4.303143 -0.531824 0.877763
C -1.067648 1.718776 0.718330
C 5.628622 -0.624497 0.080147
C 4.573599 -0.252865 2.379572
C 5.454859 -1.118534 -1.370474
H -3.331227 -1.311209 -2.255297
H -2.448433 -2.482579 -1.264595
H -5.013882 -2.718587 -1.196253
H -4.265412 -2.549001 0.412146
H -6.310936 -1.047082 0.147874
H -5.489535 -0.212590 -1.195909
H -4.647691 -0.316077 1.769453
H -5.115621 1.124230 0.849371
H 1.305774 2.183569 -0.533687
H -0.510030 -0.840847 -1.474980
H 1.680597 -0.498891 0.944849
H 1.847171 1.143051 1.641132
H -2.964248 2.141453 1.689045
H 3.777278 -1.504381 0.788103
H -0.558713 2.577857 1.174722
H 3.850517 1.413434 0.249532
H 6.119052 0.372251 0.084849
H 6.310449 -1.305275 0.627082
H 3.629888 -0.167756 2.948290
H 5.138250 0.691749 2.504738
H 5.170225 -1.066564 2.832289
H 2.504276 0.219274 -1.490989
H 4.996572 -2.125187 -1.392502
H 4.800385 -0.439311 -1.944090
H 6.427984 -1.177848 -1.891269


