%chk=000271578.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271578

0 1
O 4.487646 -2.919627 0.203447
O -6.932295 0.129900 -0.706671
O -6.613001 -0.342780 1.379489
N 1.778256 1.924339 -0.228526
N 0.257584 -0.526443 0.135243
N -6.212970 -0.081649 0.256656
C 3.871932 0.637116 -0.071583
C 2.448274 0.711854 -0.099381
C 1.677260 -0.507764 0.015144
C 4.518260 -0.616965 0.031254
C 3.745370 -1.766791 0.117561
C 2.324625 -1.727517 0.115354
C 4.604804 1.871417 -0.159528
C -1.997617 0.105779 -0.351966
C 3.930407 3.055574 -0.273736
C -0.533093 0.192925 -0.593887
C 2.492716 3.038208 -0.310179
C -2.873560 0.345789 -1.426480
C -2.508612 -0.194562 0.921448
C -4.749172 -0.016887 0.046294
C -4.251826 0.282746 -1.231909
C -3.886903 -0.256284 1.126375
C 3.786299 -4.181445 0.330307
H 5.603663 -0.684178 0.044373
H 1.741314 -2.642762 0.208124
H 5.694076 1.834259 -0.130498
H 4.449268 4.009714 -0.338398
H -0.234056 0.883548 -1.403547
H 1.941345 3.981200 -0.409851
H -2.479270 0.578769 -2.416491
H -1.818557 -0.386114 1.749716
H -4.947814 0.464171 -2.058394
H -4.299911 -0.489238 2.114291
H 3.194168 -4.197905 1.250034
H 3.174618 -4.368059 -0.556820
H 4.621773 -4.892438 0.388533


%chk=000271578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271578

0 1
O 4.444086 -2.890467 0.689636
O -7.034787 0.583813 -0.273953
O -6.683042 -1.570361 0.392933
N 1.893084 1.968230 -0.670150
N 0.278179 -0.504322 0.025858
N -6.257848 -0.404969 0.027822
C 3.948956 0.632835 -0.293420
C 2.500754 0.767740 -0.333199
C 1.689251 -0.397441 -0.007160
C 4.559748 -0.605643 0.052232
C 3.761733 -1.715166 0.362014
C 2.341990 -1.602314 0.332253
C 4.733498 1.790839 -0.616385
C -2.016647 0.214253 -0.190637
C 4.101294 2.987270 -0.952622
C -0.566650 0.461265 -0.273105
C 2.672318 3.027185 -0.965413
C -2.918204 1.269226 -0.511533
C -2.541058 -1.052023 0.203150
C -4.795015 -0.190482 -0.048673
C -4.309292 1.076458 -0.443266
C -3.926133 -1.261160 0.276240
C 3.651803 -4.082500 1.016286
H 5.649783 -0.704155 0.079205
H 1.691688 -2.447521 0.572343
H 5.826812 1.717412 -0.593873
H 4.672990 3.885830 -1.203172
H -0.228113 1.461887 -0.584928
H 2.149560 3.955295 -1.225111
H -2.517193 2.243288 -0.814594
H -1.830181 -1.847535 0.444640
H -5.018896 1.871940 -0.684441
H -4.353155 -2.221887 0.575483
H 3.022440 -3.914138 1.910801
H 3.016981 -4.389327 0.163376
H 4.394264 -4.865457 1.227161


