%chk=000190863.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190863

0 1
O -2.983285 1.440947 2.499752
O 0.312899 2.981841 -1.597525
N -1.582260 -0.288681 2.002080
N -0.190025 1.102027 -0.363409
N 1.518719 -0.011976 0.921566
C -0.766472 -0.965465 0.962988
C 0.281013 0.061146 0.493489
C -0.148342 -2.287560 1.453526
C -1.586796 1.165885 -0.763631
C -2.627917 1.012019 0.173989
C -2.415345 0.794172 1.638607
C 0.238894 -3.157995 0.287360
C 0.725304 2.135345 -0.835764
C -1.139821 -0.382418 3.415012
C 2.096641 2.023420 -0.323341
C 2.462192 0.962688 0.535666
C -1.887466 1.396282 -2.118006
C -3.960097 1.113210 -0.258299
C -0.716060 -3.994264 -0.311562
C 1.552629 -3.140701 -0.202708
C 3.061430 2.987256 -0.691295
C -3.217880 1.482363 -2.528862
C 3.787659 0.865927 1.021909
C -4.256595 1.340245 -1.602048
C 4.357225 2.885744 -0.210212
C 4.716840 1.823237 0.646716
C -0.355882 -4.806279 -1.390060
C 1.907126 -3.954920 -1.281710
C 0.955193 -4.788604 -1.877042
H -1.445464 -1.217985 0.093307
H -0.880624 -2.819915 2.098732
H 0.732698 -2.095305 2.105821
H -1.676824 0.369447 4.029691
H -0.057358 -0.199778 3.518537
H -1.383926 -1.377313 3.820500
H -1.081131 1.538467 -2.842460
H -4.764955 1.021640 0.477302
H -1.737249 -4.015193 0.063793
H 2.295610 -2.486783 0.256779
H 2.764235 3.804732 -1.355204
H -3.445903 1.667082 -3.579981
H 4.052184 0.041653 1.684583
H -5.293704 1.416431 -1.926676
H 5.106271 3.625629 -0.488984
H 5.742412 1.761274 1.015713
H -1.098486 -5.455227 -1.851507
H 2.928382 -3.938728 -1.659335
H 1.233612 -5.422319 -2.716492


%chk=000190863-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190863

0 1
O -3.169880 1.364480 2.525098
O 0.262121 3.101505 -1.502175
N -1.508069 -0.205702 2.033923
N -0.184790 1.076020 -0.351119
N 1.555898 -0.059486 0.895483
C -0.746976 -0.943097 0.978983
C 0.309482 0.033403 0.472121
C -0.170980 -2.293405 1.468378
C -1.585663 1.118713 -0.755523
C -2.646473 0.984941 0.188960
C -2.460836 0.747472 1.668940
C 0.243434 -3.182363 0.299903
C 0.688182 2.155682 -0.784032
C -1.102184 -0.315636 3.447282
C 2.079398 2.037070 -0.307907
C 2.473051 0.934290 0.512009
C -1.879704 1.351224 -2.120456
C -3.983459 1.137386 -0.260052
C -0.726065 -3.968285 -0.376640
C 1.589928 -3.235886 -0.140905
C 3.027357 3.030978 -0.667358
C -3.215753 1.468233 -2.550828
C 3.819400 0.840820 0.957942
C -4.274126 1.372800 -1.616943
C 4.354664 2.928776 -0.219918
C 4.749144 1.829023 0.594101
C -0.361359 -4.786855 -1.468624
C 1.958675 -4.055353 -1.231891
C 0.984795 -4.832581 -1.900503
H -1.453330 -1.165732 0.159718
H -0.966727 -2.796435 2.049125
H 0.688149 -2.107422 2.133545
H -1.706440 0.406512 4.017995
H -0.028432 -0.076379 3.561840
H -1.289367 -1.328070 3.844260
H -1.061408 1.458912 -2.835140
H -4.779870 1.075742 0.488145
H -1.770449 -3.949084 -0.037956
H 2.339432 -2.622212 0.370479
H 2.691905 3.863940 -1.293445
H -3.427174 1.645856 -3.610328
H 4.099578 -0.009652 1.586825
H -5.312925 1.482041 -1.945071
H 5.087636 3.693961 -0.495660
H 5.785827 1.754793 0.940363
H -1.121301 -5.391268 -1.976822
H 3.004026 -4.087793 -1.559487
H 1.270957 -5.469179 -2.745327


