%chk=000227823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227823

0 1
O -2.337376 -2.376472 -0.000613
O -2.443725 2.581984 0.019955
O -0.418046 3.315076 -0.027324
N 1.586775 1.590452 0.004422
N -1.225522 2.417635 -0.002650
C 0.925893 -0.785754 -0.000652
C 0.600142 0.608180 0.000525
C 2.328640 -1.151524 -0.000465
C -0.781764 0.989154 -0.000614
C -0.108180 -1.751052 -0.001512
C -1.434355 -1.338399 -0.000614
C -1.783246 0.036161 -0.000126
C 3.274828 -0.156132 0.001983
C 2.725427 -2.588564 -0.002688
C 2.857450 1.215862 0.004924
C -3.749641 -2.049198 0.000750
H 0.119625 -2.817610 -0.002480
H -2.834881 0.350015 0.000562
H 4.339781 -0.378571 0.002167
H 2.340070 -3.112498 -0.891268
H 3.816041 -2.727427 -0.002436
H 2.339283 -3.115477 0.883786
H 3.611293 2.015926 0.007900
H -4.204872 -3.049406 0.000716
H -4.016203 -1.499444 -0.906652
H -4.014637 -1.500219 0.909103


%chk=000227823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227823

0 1
O -2.381033 -2.409094 -0.033810
O -2.196410 2.719240 0.701234
O -0.629942 3.173451 -0.898456
N 1.570219 1.624765 0.098095
N -1.211105 2.382776 -0.072476
C 0.946316 -0.792380 -0.013330
C 0.618726 0.623961 0.006111
C 2.349053 -1.159168 0.004739
C -0.774950 0.965206 -0.022076
C -0.094696 -1.762886 -0.039802
C -1.442952 -1.374704 -0.023837
C -1.791066 0.008582 -0.003810
C 3.286282 -0.123761 0.064947
C 2.776659 -2.610488 -0.031711
C 2.857705 1.241236 0.127978
C -3.805461 -2.050648 -0.002136
H 0.132496 -2.832072 -0.065300
H -2.829713 0.347500 0.018888
H 4.358177 -0.346749 0.080021
H 2.405735 -3.118633 -0.941807
H 3.875385 -2.697241 -0.018537
H 2.381006 -3.170267 0.836815
H 3.598117 2.045547 0.209340
H -4.338843 -3.011749 -0.005844
H -4.090458 -1.462382 -0.895091
H -4.056450 -1.487343 0.916552


