%chk=000109342.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109342

0 1
 O    4.634900       1.541900      0.2204000    
 N   -4.220500     -0.4078000      0.7312000    
 C   -1.431200      0.1777000     -0.3284000    
 C   -2.730100      0.8580000     -0.7817000    
 C  -0.2044000       1.088500     -0.4128000    
 C    1.060700      0.3574000      4.6000000E-02
 C   -4.002500      2.4000001E-03 -0.6561000    
 C    2.293400       1.255000     -7.4100003E-02
 C    3.608100      0.5524000      0.2932000    
 C    3.945200     -0.6131000     -0.6480000    
 C   -3.902200      -1.236600      -1.546800    
 C    5.278400      -1.314100     -0.3601000    
 C   -5.458400      -1.177300      0.8475000    
 C   -4.260200      0.7609000       1.609000    
 C    5.388800      -1.845300       1.060500    
 H   -1.250200     -0.7092000     -0.9470000    
 H   -1.531600     -0.1744000      0.7046000    
 H   -2.847200       1.818900     -0.2669000    
 H   -2.610200       1.132900      -1.839300    
 H  -7.8400001E-02   1.434500      -1.445800    
 H  -0.3628000       1.976900      0.2103000    
 H    1.178400     -0.5398000     -0.5699000    
 H   0.9462000      2.7000001E-02   1.085200    
 H   -4.843100      0.6121000      -1.016400    
 H    2.370400       1.649800      -1.095800    
 H    2.163300       2.135700      0.5685000    
 H    3.551200      0.2017000       1.329100    
 H    3.156400      -1.371300     -0.6054000    
 H    3.982900     -0.2441000      -1.680800    
 H   -4.880500      -1.700400      -1.712400    
 H   -3.520400     -0.9690000      -2.538900    
 H   -3.231100      -1.996300      -1.130200    
 H    5.393300      -2.148100      -1.062700    
 H    6.109400     -0.6253000     -0.5515000    
 H   -6.323700     -0.6420000      0.4396000    
 H   -5.671900      -1.400800       1.899900    
 H   -5.381800      -2.155500      0.3627000    
 H   -3.276700       1.223600       1.734200    
 H   -4.556200      0.4652000       2.623200    
 H   -4.974800       1.518200       1.266000    
 H    4.429900       2.228800      0.8776000    
 H    4.538400      -2.488500       1.307800    
 H    6.303600      -2.437200       1.168500    
 H    5.436300      -1.033000       1.791600    


%chk=000109342-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000109342

0 1
O 4.752742 1.573909 0.211346
N -4.236784 -0.393483 0.779717
C -1.467654 0.159773 -0.435103
C -2.770915 0.894329 -0.821931
C -0.222298 1.069407 -0.527715
C 1.090040 0.335413 -0.169948
C -4.069478 0.058786 -0.637653
C 2.338192 1.241762 -0.279649
C 3.643018 0.589396 0.231306
C 4.124370 -0.587796 -0.633382
C -4.082295 -1.142311 -1.612867
C 5.434052 -1.247158 -0.137782
C -5.420813 -1.259859 0.978206
C -4.256106 0.731265 1.741687
C 5.294158 -1.975797 1.217982
H -1.323747 -0.718549 -1.095641
H -1.572005 -0.241112 0.592091
H -2.841712 1.837579 -0.244986
H -2.723227 1.198615 -1.887468
H -0.140712 1.485335 -1.554359
H -0.351341 1.940425 0.149464
H 1.203675 -0.541944 -0.836927
H 1.011983 -0.065662 0.862907
H -4.928700 0.731536 -0.915084
H 2.487418 1.560064 -1.331130
H 2.151230 2.167514 0.309022
H 3.477283 0.245779 1.278044
H 3.321506 -1.350430 -0.673355
H 4.269202 -0.205955 -1.663938
H -5.087464 -1.585531 -1.719118
H -3.759994 -0.810697 -2.616403
H -3.389999 -1.931039 -1.268303
H 5.774367 -1.972288 -0.903886
H 6.212515 -0.466326 -0.062108
H -6.385228 -0.766930 0.688519
H -5.489481 -1.537983 2.045104
H -5.324177 -2.191520 0.397923
H -3.285963 1.255577 1.751974
H -4.430392 0.336018 2.758186
H -5.055629 1.485816 1.523234
H 4.466463 2.380949 0.710046
H 4.503975 -2.750272 1.177302
H 6.240717 -2.473538 1.498780
H 5.038309 -1.272665 2.031499


