%chk=000195972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195972

0 1
O -4.332027 -1.566452 0.995613
O -0.598062 0.782528 -0.283227
O 3.049728 -1.639211 0.259562
O -7.724869 0.996445 1.317613
O 6.183569 1.699444 1.156628
N -4.310737 0.552716 0.199116
N -1.447665 -1.275421 0.211151
N 1.857854 0.215469 0.849496
N 5.364590 -0.120007 0.050405
N 8.648286 0.540161 1.777224
C -2.625062 -1.103632 -0.670348
C -2.951044 -2.412600 -1.446618
C -3.803418 -0.743385 0.262400
C -5.334345 1.009777 1.198705
C -3.611539 1.746266 -0.386861
C 4.068771 0.521545 -0.237460
C -1.776838 -2.810685 -2.342168
C -4.222373 -2.210563 -2.275801
C 3.837569 0.781957 -1.757565
C -5.178742 2.515303 1.202857
C -4.237999 2.914397 0.338142
C -0.486391 -0.278669 0.316422
C 0.686305 -0.581351 1.251089
C 2.967022 -0.421717 0.285631
C -6.741217 0.570485 0.762904
C 4.018723 -0.483294 -2.597276
C 4.762315 1.902128 -2.236504
C 6.351207 0.554202 0.766445
C 7.640701 -0.230627 1.016625
H -2.412149 -0.283896 -1.410514
H -3.140998 -3.227935 -0.700751
H -5.130573 0.562921 2.210783
H -3.801834 1.790003 -1.480604
H -2.505479 1.699360 -0.229648
H -1.388628 -2.154652 0.720111
H 4.042289 1.513520 0.305306
H 2.776556 1.129127 -1.868142
H -1.548317 -2.039948 -3.087700
H -0.860251 -2.989538 -1.768938
H -1.998071 -3.734378 -2.891189
H -4.449783 -3.107625 -2.865836
H -5.097017 -2.024087 -1.639501
H -4.133172 -1.377447 -2.980873
H -5.801550 3.113185 1.850540
H -3.909899 3.919800 0.129132
H 0.958209 -1.669503 1.257365
H 0.399520 -0.319250 2.299060
H -6.779649 -0.158456 -0.060008
H 3.637278 -0.337163 -3.614551
H 3.484771 -1.342001 -2.167112
H 5.072608 -0.768269 -2.690605
H 4.603427 2.832582 -1.678262
H 4.599892 2.123028 -3.297699
H 5.820024 1.636542 -2.117320
H 1.683248 1.213289 0.724848
H 5.462437 -1.084550 -0.260935
H 8.094850 -0.547791 0.048571
H 7.418342 -1.171669 1.573627
H 8.869691 1.407091 1.288944
H 8.270517 0.813802 2.683501


%chk=000195972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195972

0 1
O -3.947141 -1.555124 1.288640
O -0.551641 0.329890 -1.210357
O 3.548474 -1.761099 0.484219
O -6.437761 0.576866 3.160955
O 5.802190 2.422610 0.927450
N -3.905817 0.621040 0.504332
N -1.594194 -1.645300 -0.546063
N 1.882982 -0.439544 -0.433909
N 5.398204 0.189936 0.382628
N 7.757066 1.665563 2.896571
C -2.957084 -1.211994 -0.925126
C -3.763443 -2.368188 -1.581960
C -3.654418 -0.722212 0.366112
C -4.481246 1.126340 1.778282
C -3.600959 1.719324 -0.463614
C 4.190863 0.448591 -0.409535
C -3.042647 -2.906018 -2.838241
C -5.192734 -1.888499 -1.930024
C 4.457344 0.510190 -1.958291
C -4.528101 2.628339 1.534012
C -4.049269 2.946330 0.305477
C -0.496204 -0.835905 -0.695230
C 0.835100 -1.429562 -0.207541
C 3.183731 -0.671749 -0.071243
C -5.890157 0.548088 2.040469
C 4.995702 -0.830343 -2.507529
C 5.410815 1.677149 -2.299662
C 6.091850 1.190057 1.037405
C 7.295891 0.703776 1.889528
H -2.828875 -0.391341 -1.650253
H -3.850438 -3.177566 -0.828072
H -3.850281 0.856510 2.648202
H -4.171531 1.596415 -1.406837
H -2.522822 1.737076 -0.719080
H -1.517794 -2.517399 -0.015287
H 3.795433 1.434909 -0.094757
H 3.474174 0.715110 -2.434076
H -2.976325 -2.126311 -3.621090
H -2.015960 -3.246209 -2.614001
H -3.599214 -3.761381 -3.261776
H -5.766097 -2.709037 -2.396678
H -5.747269 -1.564644 -1.031216
H -5.165628 -1.048472 -2.651420
H -4.907103 3.316265 2.291905
H -3.966239 3.952913 -0.111001
H 1.060659 -2.371181 -0.746384
H 0.773111 -1.692255 0.867551
H -6.404299 0.157448 1.125748
H 5.164203 -0.757013 -3.597232
H 4.299214 -1.668527 -2.323749
H 5.962201 -1.081387 -2.032767
H 5.052003 2.634196 -1.882291
H 5.510063 1.781883 -3.395921
H 6.416726 1.492971 -1.881698
H 1.568450 0.441330 -0.859866
H 5.530057 -0.794368 0.647020
H 8.129632 0.488448 1.191871
H 7.047974 -0.254828 2.384056
H 7.949130 2.584134 2.477400
H 7.090048 1.775058 3.669745


