%chk=000270497.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270497

0 1
O -1.514296 -3.659153 0.471098
O 5.326934 2.017108 0.234494
N 1.132812 -2.965954 -0.195880
N -2.275147 -1.567864 0.188037
C 0.334029 -0.573822 0.003002
C 0.167157 -1.938124 0.051164
C -2.079079 -0.190178 0.029362
C -0.807402 0.304694 -0.035742
C 1.650197 0.100959 0.006875
C -1.194184 -2.505713 0.240424
C -3.292693 0.656379 -0.047298
C 2.454195 0.048467 1.164020
C 2.082264 0.828937 -1.109039
C 1.396222 -3.834048 0.988404
C 2.391560 -2.559265 -0.873769
C -4.227621 0.458504 -1.074790
C -3.498914 1.662954 0.908101
C 3.677629 0.703766 1.201316
C 3.312773 1.493215 -1.096458
C 4.096921 1.422819 0.060983
C -5.365428 1.266670 -1.142331
C -4.640222 2.465816 0.834728
C -5.573384 2.268636 -0.188497
C 5.865483 2.793705 -0.862488
H -0.632143 1.375234 -0.124732
H -3.226023 -1.938490 0.268597
H 2.107534 -0.510706 2.034236
H 1.454601 0.876134 -2.000121
H 0.439160 -4.283833 1.323375
H 1.859984 -3.310781 1.835509
H 2.047756 -4.668625 0.685791
H 3.132939 -2.066621 -0.226286
H 2.166843 -1.890879 -1.720539
H 2.852605 -3.470664 -1.293565
H -4.061913 -0.315846 -1.823566
H -2.770740 1.814329 1.705061
H 4.314591 0.679963 2.082684
H 3.636066 2.048418 -1.969981
H -6.090861 1.115817 -1.940888
H -4.802446 3.246521 1.576910
H -6.462033 2.896024 -0.243124
H 5.210913 3.640729 -1.086428
H 6.025281 2.156875 -1.737044
H 6.821977 3.135892 -0.445402


%chk=000270497-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270497

0 1
O -1.525831 -3.693818 0.592039
O 5.493473 2.016314 0.332896
N 1.200196 -2.901447 0.020218
N -2.227308 -1.509517 0.294128
C 0.363578 -0.555995 -0.009033
C 0.171001 -1.956890 0.150010
C -2.075581 -0.152213 0.013086
C -0.774133 0.315353 -0.129153
C 1.712103 0.087275 0.007981
C -1.202242 -2.477039 0.365346
C -3.295297 0.677218 -0.114625
C 2.678786 -0.268507 0.994315
C 2.044631 1.135743 -0.887927
C 1.327695 -4.071688 0.906562
C 2.306068 -2.722344 -0.928994
C -4.525173 0.116768 -0.566160
C -3.269405 2.062038 0.216029
C 3.915694 0.390482 1.077585
C 3.287973 1.804192 -0.825503
C 4.229402 1.429892 0.164739
C -5.683687 0.913229 -0.684024
C -4.426211 2.857042 0.091397
C -5.642325 2.288009 -0.356957
C 5.862508 3.100799 -0.579709
H -0.609353 1.378935 -0.312681
H -3.162329 -1.895897 0.458269
H 2.439939 -1.058672 1.714377
H 1.329419 1.422468 -1.668043
H 0.378507 -4.257687 1.426922
H 2.144764 -3.915198 1.646034
H 1.570005 -4.973264 0.311976
H 3.250485 -2.394051 -0.446212
H 2.038711 -1.974061 -1.691159
H 2.494718 -3.690903 -1.433336
H -4.572910 -0.935772 -0.872287
H -2.345733 2.508183 0.600183
H 4.651734 0.125492 1.842855
H 3.507838 2.598368 -1.545367
H -6.615848 0.462356 -1.042159
H -4.384182 3.918916 0.358298
H -6.542323 2.905604 -0.447669
H 5.165834 3.957127 -0.490126
H 5.887824 2.752143 -1.630728
H 6.870883 3.409019 -0.267190


