%chk=000249556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249556

0 1
O 0.671106 1.771415 -0.587778
O 0.673864 1.116271 1.577390
N 0.292526 -2.400592 1.610980
C 0.262110 -0.533982 -0.229496
C 1.364923 -0.845306 -1.304489
C -1.142879 -0.460137 -0.879264
C -2.264205 -0.191727 0.130838
C 1.142854 -2.213618 -1.949653
C 2.762771 -0.761165 -0.687109
C 0.561918 0.833385 0.411689
C -3.622433 -0.063450 -0.573333
C 0.280240 -1.566130 0.813453
C -4.747485 0.192160 0.426351
C 0.969986 3.152434 -0.200116
C 2.440541 3.286292 0.132612
H 1.274266 -0.051119 -2.091661
H -1.343117 -1.409768 -1.417566
H -1.131256 0.335412 -1.654029
H -2.055164 0.729828 0.709527
H -2.309039 -1.006153 0.882280
H 0.142329 -2.306878 -2.388130
H 1.867442 -2.388833 -2.754324
H 1.262534 -3.033927 -1.229755
H 3.534088 -1.007945 -1.426946
H 2.989045 0.245224 -0.314524
H 2.891234 -1.459892 0.149529
H -3.588378 0.758548 -1.315162
H -3.838440 -0.984894 -1.149277
H -4.833935 -0.622541 1.155369
H -5.715207 0.281909 -0.079918
H -4.585683 1.117524 0.991429
H 0.677445 3.690132 -1.120548
H 0.314673 3.429022 0.645078
H 2.722002 4.335123 0.287763
H 2.691183 2.741493 1.055960
H 3.076041 2.885482 -0.667071


%chk=000249556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249556

0 1
O 0.601148 1.779479 -0.508691
O 0.815007 0.975195 1.668787
N 0.299336 -2.544254 1.604440
C 0.292186 -0.588375 -0.216359
C 1.411395 -0.899915 -1.302383
C -1.137296 -0.519526 -0.868432
C -2.261150 -0.084957 0.096650
C 1.171008 -2.246292 -2.022090
C 2.826845 -0.865125 -0.679959
C 0.603891 0.771761 0.455632
C -3.651671 -0.122395 -0.577606
C 0.302777 -1.644675 0.822014
C -4.785197 0.320745 0.371826
C 0.890157 3.167772 -0.022196
C 2.398335 3.415575 0.057943
H 1.327419 -0.077482 -2.039011
H -1.377861 -1.519177 -1.274816
H -1.075457 0.184838 -1.719268
H -2.066508 0.941437 0.468595
H -2.268496 -0.746214 0.986052
H 0.218236 -2.265800 -2.578991
H 1.983298 -2.424081 -2.750154
H 1.172679 -3.088584 -1.305706
H 3.586283 -1.048332 -1.461320
H 3.053394 0.111061 -0.214049
H 2.941048 -1.646291 0.094033
H -3.642847 0.528717 -1.475948
H -3.853237 -1.151350 -0.939473
H -4.833854 -0.333549 1.262309
H -5.769606 0.283577 -0.129516
H -4.624775 1.356410 0.726265
H 0.402363 3.807123 -0.774953
H 0.407793 3.297933 0.962523
H 2.585442 4.472681 0.323176
H 2.861528 2.782354 0.833038
H 2.884286 3.213311 -0.912263


