%chk=000227701.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227701

0 1
O -3.546564 -1.267302 -0.225250
N -1.279185 -1.365256 -0.004025
C -1.228035 1.523514 0.041231
C 0.053993 0.701665 -0.010678
C -2.342965 0.759233 -0.715333
C -0.006320 -0.713642 -0.023923
C -1.062243 2.896577 -0.633369
C -1.626205 1.712456 1.515769
C -2.481102 -0.679095 -0.292715
C 1.309759 1.312645 0.004728
C 1.178501 -1.469201 -0.053414
C 2.498015 0.570133 -0.015510
C 2.428040 -0.838070 -0.049579
C -1.362604 -2.802114 0.358364
C 3.815702 1.276715 -0.000616
C 3.671640 -1.667547 -0.080999
H -2.150899 0.787102 -1.809561
H -3.321029 1.266405 -0.576803
H -0.676507 2.800462 -1.654467
H -2.015679 3.433290 -0.687199
H -0.367627 3.537405 -0.078491
H -2.544245 2.299766 1.616243
H -1.795699 0.750160 2.013623
H -0.838518 2.228163 2.075977
H 1.372246 2.401833 0.037861
H 1.137236 -2.555514 -0.086150
H -0.839683 -2.998927 1.307774
H -0.933720 -3.433888 -0.436308
H -2.425802 -3.094438 0.484817
H 3.708876 2.368332 0.031183
H 4.413479 0.986247 0.874888
H 4.405911 1.037038 -0.896430
H 4.295266 -1.481907 0.805430
H 3.464230 -2.744790 -0.109587
H 4.282737 -1.433152 -0.964685


%chk=000227701-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227701

0 1
O -3.609513 -1.270463 -0.287657
N -1.292986 -1.351642 0.018876
C -1.244323 1.541872 0.045066
C 0.057908 0.728150 -0.034814
C -2.323619 0.763995 -0.755921
C -0.018440 -0.696579 -0.020546
C -1.110193 2.960790 -0.558539
C -1.678378 1.660426 1.538332
C -2.484290 -0.686105 -0.318010
C 1.336988 1.321882 -0.057984
C 1.176238 -1.459733 -0.013052
C 2.538606 0.572492 -0.057795
C 2.451068 -0.849139 -0.029818
C -1.375514 -2.784194 0.361241
C 3.884033 1.275097 -0.084201
C 3.704170 -1.707158 -0.023689
H -2.056206 0.767282 -1.833016
H -3.313668 1.241053 -0.658485
H -0.735861 2.924156 -1.598066
H -2.096822 3.459786 -0.563903
H -0.426184 3.595859 0.032860
H -2.630149 2.218678 1.619558
H -1.823698 0.666867 1.999032
H -0.908342 2.196404 2.121358
H 1.410420 2.415129 -0.072922
H 1.125352 -2.552688 -0.001782
H -0.849114 -2.984638 1.310779
H -0.937986 -3.414357 -0.435614
H -2.441989 -3.036126 0.462086
H 3.761668 2.371503 -0.096979
H 4.500107 1.015824 0.798839
H 4.476926 0.993178 -0.976186
H 4.339530 -1.491621 0.857029
H 3.456229 -2.781914 -0.005153
H 4.329030 -1.519770 -0.918128


