%chk=000253647.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253647

0 1
O 1.691764 0.334832 -1.433324
O -1.024465 1.848199 -0.614065
O -0.673361 -1.735564 0.488460
O -2.061332 2.291864 1.341598
O 6.626000 -2.388219 1.640721
O -1.513428 -2.353521 -1.512469
N 3.363843 0.636378 0.188043
N 4.871659 0.172205 1.858655
N 3.860009 -1.384125 -1.258362
N 5.580038 -2.816237 -0.363010
C 0.006010 1.106677 0.094673
C 2.334408 1.336017 -0.625191
C 1.248084 2.002465 0.228761
C 0.402492 -0.033963 -0.866450
C 0.573666 -1.382221 -0.155234
C 4.017768 -0.556142 -0.148944
C 3.941996 1.036601 1.449103
C 4.944037 -0.832215 0.890563
C -2.057249 2.402988 0.138287
C 5.807142 -2.022915 0.842247
C -3.025299 3.083058 -0.745526
C -1.684762 -2.249802 -0.319502
C 4.721255 -2.528189 -1.288589
C -2.868827 -2.591608 0.492790
C -4.092913 3.773142 -0.145436
C -2.900322 3.046083 -2.143014
C -5.030039 4.426207 -0.947543
C -3.843073 3.701819 -2.937777
C -3.962390 -3.191833 -0.155596
C -2.916893 -2.331141 1.871205
C -4.905217 4.390537 -2.341370
C -5.099867 -3.529275 0.579111
C -4.059883 -2.671347 2.598321
C -5.148376 -3.269296 1.953967
H -0.400285 0.752390 1.070172
H 2.836818 2.004462 -1.366783
H 1.530884 2.136193 1.289362
H 1.021952 3.022320 -0.148801
H -0.272904 -0.106292 -1.752888
H 1.278834 -1.345490 0.697697
H 0.873228 -2.177492 -0.862985
H 3.635455 1.940115 1.951543
H 3.174340 -1.160706 -1.980731
H 4.593980 -3.165508 -2.179052
H -4.181332 3.791665 0.944465
H -2.067609 2.503946 -2.599080
H -5.859423 4.962897 -0.487476
H -3.751227 3.675201 -4.023263
H -3.912508 -3.389500 -1.229844
H -2.060969 -1.864538 2.366614
H -5.639926 4.901424 -2.965294
H -5.949752 -3.995735 0.081873
H -4.101962 -2.470073 3.668601
H -6.038973 -3.534537 2.525269


%chk=000253647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253647

0 1
O 1.284330 -0.031737 -1.061570
O -1.160635 1.694297 -0.598936
O -1.089257 -2.122788 1.006835
O -2.040304 2.831127 1.237796
O 7.569636 -0.985140 0.405433
O -1.673552 -3.164028 -0.998195
N 3.180727 0.670492 0.224910
N 5.141824 0.708645 1.415674
N 3.922987 -0.873283 -1.604694
N 6.206988 -1.644476 -1.409286
C -0.470483 0.783464 0.351639
C 1.857967 1.089840 -0.279003
C 0.850349 1.410981 0.848413
C -0.025743 -0.432311 -0.468704
C 0.184388 -1.707869 0.373406
C 4.090779 -0.141001 -0.445468
C 3.889092 1.171328 1.351854
C 5.293250 -0.126869 0.288787
C -1.953249 2.702826 -0.008206
C 6.453964 -0.911843 -0.167667
C -2.632530 3.547489 -1.024913
C -1.954481 -2.891799 0.194283
C 5.045732 -1.604747 -2.023898
C -3.180575 -3.308835 0.922727
C -3.453904 4.610143 -0.562960
C -2.482046 3.319237 -2.418611
C -4.119234 5.438256 -1.488731
C -3.150767 4.151614 -3.339964
C -4.154446 -4.056617 0.208651
C -3.393857 -2.985530 2.289031
C -3.968757 5.210510 -2.878040
C -5.333234 -4.476082 0.856835
C -4.575362 -3.408928 2.932070
C -5.545670 -4.152797 2.218810
H -1.157233 0.535265 1.177490
H 1.985035 1.927540 -0.989245
H 1.156859 0.924122 1.790426
H 0.737672 2.488737 1.036389
H -0.709626 -0.633241 -1.308039
H 0.875766 -1.541787 1.215006
H 0.559543 -2.515968 -0.277256
H 3.435191 1.862143 2.058228
H 3.006228 -0.926798 -2.059379
H 4.899430 -2.178685 -2.947409
H -3.556003 4.766450 0.516006
H -1.849054 2.497162 -2.763654
H -4.752588 6.257453 -1.132682
H -3.037052 3.976760 -4.415002
H -3.967538 -4.296835 -0.843164
H -2.635735 -2.413966 2.831099
H -4.486789 5.854719 -3.597089
H -6.083863 -5.052821 0.306418
H -4.740876 -3.161615 3.985927
H -6.462199 -4.480001 2.722121


