%chk=000268076.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268076

0 1
O -1.225451 1.381435 1.603013
O 0.129700 0.663182 -1.535855
N -1.200761 1.422456 0.181897
N 1.076264 0.695772 0.598116
N -1.164833 -2.371656 0.325755
C -2.461302 0.821749 -0.367895
C -2.934261 -0.445801 0.400108
C -3.548549 1.913360 -0.315434
C -4.266921 -0.959019 -0.186078
C -4.866944 1.392744 -0.897172
C -5.339754 0.134435 -0.158745
C -1.938400 -1.514404 0.347114
C 0.051984 0.851543 -0.336167
C 2.426973 0.323954 0.284258
C 3.324786 0.201554 1.363095
C 2.862260 0.093995 -1.031915
C 5.099506 -0.376922 -0.195257
C 4.652108 -0.147401 1.114871
C 4.192170 -0.253695 -1.260674
C 6.519364 -0.756475 -0.463680
H -2.243819 0.555893 -1.442637
H -3.085812 -0.162821 1.481006
H -3.205151 2.803466 -0.880380
H -3.699567 2.254372 0.726815
H -4.609678 -1.843955 0.385097
H -4.111134 -1.311683 -1.225717
H -4.745712 1.175230 -1.976916
H -5.640257 2.182285 -0.834303
H -5.600056 0.385536 0.888002
H -6.271932 -0.246468 -0.619206
H -1.303857 2.360150 1.853193
H 0.851085 0.818255 1.593219
H 2.995967 0.370431 2.385586
H 2.164788 0.179649 -1.872324
H 5.343438 -0.243596 1.950845
H 4.527305 -0.434356 -2.281826
H 6.979266 -0.092668 -1.209226
H 7.147582 -0.714356 0.434998
H 6.585305 -1.782269 -0.855382


%chk=000268076-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268076

0 1
O -1.156612 1.348526 1.679373
O 0.055674 0.543503 -1.641615
N -1.181468 1.275905 0.195613
N 1.078450 0.651304 0.498316
N -1.258002 -2.481845 0.458071
C -2.487887 0.802176 -0.324818
C -3.017345 -0.477371 0.412513
C -3.549203 1.921552 -0.256512
C -4.361416 -0.948128 -0.225261
C -4.894839 1.462885 -0.866666
C -5.415710 0.179526 -0.179948
C -2.031844 -1.573830 0.429252
C 0.032195 0.767541 -0.395864
C 2.431196 0.312034 0.215987
C 3.327667 0.235241 1.312865
C 2.913890 0.056708 -1.094786
C 5.186080 -0.345636 -0.197016
C 4.683621 -0.089439 1.103385
C 4.273654 -0.263615 -1.280831
C 6.643357 -0.709810 -0.424679
H -2.277392 0.549824 -1.380955
H -3.203724 -0.191329 1.468180
H -3.159476 2.807145 -0.790709
H -3.706800 2.212947 0.802922
H -4.725119 -1.843509 0.311025
H -4.175308 -1.250707 -1.274025
H -4.757419 1.269791 -1.949956
H -5.640392 2.275285 -0.778593
H -5.671273 0.403089 0.876311
H -6.346463 -0.165001 -0.668448
H -1.226286 2.323445 1.863132
H 0.814843 0.772225 1.481614
H 2.964013 0.425337 2.331031
H 2.223745 0.102501 -1.939370
H 5.359522 -0.146339 1.965056
H 4.633029 -0.460688 -2.298702
H 7.109986 -0.056963 -1.185896
H 7.232423 -0.618692 0.504448
H 6.746330 -1.751687 -0.784247


