%chk=000185537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185537

0 1
O 1.891219 -0.458386 -2.320190
O -1.197227 -0.676033 2.230871
O -2.213216 1.814625 -2.271487
N -0.429842 0.292058 0.304371
N 1.594948 -0.871508 1.064290
N -2.906351 1.551831 -0.103150
C 0.663746 -0.662286 -0.084699
C 1.511999 0.226566 -1.137646
C -0.495795 1.511802 -0.552548
C 0.585920 1.352819 -1.621249
C 0.099632 -2.034521 -0.615711
C 2.717101 0.643824 -0.329373
C -2.588299 1.065030 1.271168
C -1.365405 0.122840 1.326343
C 2.682439 0.034148 0.956386
C -1.928843 1.616415 -1.107784
C -0.692473 -1.776040 -1.904708
C 1.268521 -2.999350 -0.902950
C -3.860174 0.348813 1.777334
C -4.337193 1.290139 -0.444007
C -0.751888 -2.710951 0.446437
C -4.825606 0.255843 0.583042
C 3.768155 1.474845 -0.678817
C 3.681275 0.276123 1.901515
C 4.783104 1.714283 0.262576
C 4.733081 1.124139 1.529409
C -1.875463 -3.386412 0.218365
H -0.287472 2.422610 0.073218
H 0.149625 1.084316 -2.612903
H 1.140312 2.292272 -1.791667
H 1.163723 -1.029560 1.978222
H -2.352636 1.956970 1.911691
H -1.068639 -2.711763 -2.333224
H -1.555109 -1.123791 -1.733321
H -0.068624 -1.304191 -2.679207
H 1.880423 -3.174397 -0.008543
H 1.930864 -2.623362 -1.693981
H 0.889292 -3.973361 -1.235399
H -4.311986 0.917094 2.609619
H -3.620907 -0.653517 2.186638
H 2.512535 -1.206483 -2.109156
H -4.433471 0.939701 -1.494118
H -4.892567 2.249409 -0.362735
H -0.350007 -2.635806 1.462785
H -4.813093 -0.762458 0.151933
H -5.866809 0.451229 0.889541
H 3.808604 1.933118 -1.666494
H 3.652745 -0.182336 2.884407
H 5.613797 2.365127 0.001510
H 5.529275 1.325856 2.247460
H -2.428673 -3.875261 1.008243
H -2.331664 -3.508873 -0.752308


%chk=000185537-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185537

0 1
O 2.227264 -0.570015 -2.347550
O -1.038957 -0.741380 2.212129
O -2.333802 1.727347 -2.396081
N -0.446449 0.102325 0.094591
N 1.542044 -1.033395 0.939290
N -2.799415 1.463615 -0.111370
C 0.676118 -0.850646 -0.244699
C 1.543586 0.091656 -1.229535
C -0.494323 1.334538 -0.757709
C 0.534357 1.077994 -1.860137
C 0.125818 -2.224141 -0.826769
C 2.551413 0.692502 -0.254566
C -2.291520 1.173964 1.262842
C -1.204303 0.066073 1.242955
C 2.503423 -0.006719 0.983143
C -1.956713 1.551186 -1.199536
C -0.582707 -2.002201 -2.184086
C 1.304767 -3.228593 -1.027202
C -3.560636 0.782398 2.065349
C -4.273307 1.337683 -0.198524
C -0.813044 -2.872460 0.197374
C -4.599386 0.388510 0.979249
C 3.483102 1.722999 -0.464864
C 3.375473 0.337711 2.040605
C 4.365632 2.076251 0.587393
C 4.301751 1.385850 1.824594
C -2.106155 -3.228775 0.000509
H -0.181958 2.205364 -0.141236
H 0.057750 0.624709 -2.742773
H 1.030814 2.006020 -2.183001
H 1.063685 -1.333859 1.796488
H -1.815992 2.080621 1.695335
H -0.991646 -2.962871 -2.544746
H -1.421284 -1.286573 -2.109202
H 0.134573 -1.638736 -2.936265
H 1.905675 -3.329153 -0.107409
H 1.960726 -2.907375 -1.852499
H 0.890814 -4.219784 -1.285028
H -3.920240 1.648449 2.648628
H -3.325193 -0.036578 2.763982
H 3.086338 -0.933939 -2.012175
H -4.547576 0.948518 -1.193120
H -4.756254 2.326170 -0.069497
H -0.353280 -3.104524 1.169056
H -4.443850 -0.660882 0.668952
H -5.638585 0.496025 1.331686
H 3.524356 2.247511 -1.426755
H 3.341069 -0.190497 2.999255
H 5.093662 2.881815 0.447620
H 4.985556 1.667584 2.633700
H -2.674668 -3.731653 0.790892
H -2.635617 -3.037439 -0.939287


