%chk=000198986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198986

0 1
O -5.065267 0.846209 1.474623
O -5.999490 1.178705 -0.681849
N -0.230126 -1.081530 0.587499
N 2.372054 0.011554 1.303994
N 3.749156 1.086122 -0.323838
N 4.384065 -1.090773 0.608275
N 5.142509 2.188822 -1.859614
C 0.265300 0.186835 -0.044085
C 0.918081 -1.994006 0.910988
C 1.233163 0.897461 0.922577
C 1.882580 -1.276217 1.877102
C -1.205739 -1.782152 -0.313611
C -2.471337 -0.969927 -0.461122
C 3.507105 -0.015032 0.478973
C -3.094380 -0.455997 0.707844
C -3.021083 -0.767486 -1.727994
C -4.261809 0.242964 0.514441
C -4.823255 0.443443 -0.782414
C -4.225146 -0.049335 -1.919011
C -6.183723 1.450476 0.745850
C 4.949348 1.112324 -0.996356
C 5.559170 -1.009747 -0.061306
C 5.905252 0.072237 -0.874485
H 0.761648 0.023331 -1.024871
H -0.614099 0.842891 -0.230905
H 0.511114 -2.899840 1.409958
H 1.474241 -2.337651 0.011825
H 1.608485 1.842303 0.468382
H 0.707195 1.172401 1.865955
H 1.362679 -1.028129 2.831192
H 2.739521 -1.941174 2.132237
H -1.471764 -2.756989 0.162632
H -0.774752 -2.028947 -1.309651
H -2.647970 -0.604575 1.690323
H -2.521962 -1.168181 -2.609339
H -4.646068 0.100693 -2.908347
H -6.132500 2.537258 0.891559
H -7.105682 0.949447 1.068354
H 6.238588 -1.862680 0.067706
H 6.847718 0.101428 -1.401389
H 6.078995 2.416963 -2.147561
H 4.500588 2.968102 -1.804443


%chk=000198986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198986

0 1
O -4.814774 1.303509 1.589052
O -6.256689 1.197043 -0.332800
N -0.309610 -1.218053 0.250359
N 2.345499 -0.225279 0.675815
N 3.989146 1.122557 -0.338914
N 4.582953 -0.965704 0.802576
N 5.596222 2.478402 -1.345018
C 0.197240 -0.061123 -0.533013
C 0.795702 -2.146658 0.599402
C 1.275300 0.698474 0.263921
C 1.881227 -1.413922 1.412113
C -1.441213 -1.908231 -0.411574
C -2.713953 -1.066881 -0.455229
C 3.676851 -0.015591 0.369350
C -3.065783 -0.267226 0.672807
C -3.565754 -1.117540 -1.585005
C -4.264642 0.440414 0.604712
C -5.112778 0.378709 -0.521966
C -4.791022 -0.394484 -1.638245
C -6.104415 1.783643 1.026044
C 5.305078 1.331424 -0.632019
C 5.886388 -0.716520 0.489336
C 6.323787 0.412976 -0.224672
H 0.629742 -0.393581 -1.511122
H -0.647565 0.617253 -0.747987
H 0.384480 -2.974917 1.206696
H 1.267099 -2.589121 -0.314976
H 1.725008 1.499878 -0.340965
H 0.808092 1.142873 1.166719
H 1.450195 -1.095800 2.383645
H 2.750703 -2.062747 1.596566
H -1.636086 -2.833623 0.168319
H -1.185994 -2.235021 -1.452188
H -2.397008 -0.215699 1.535803
H -3.276178 -1.729639 -2.446943
H -5.445863 -0.434585 -2.512259
H -6.072053 2.883506 0.939989
H -6.931108 1.427833 1.665985
H 6.606575 -1.468323 0.833217
H 7.380184 0.574288 -0.452454
H 6.549243 2.713932 -1.604406
H 4.828178 3.095157 -1.600574


