%chk=000181811.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181811

0 1
O 0.785753 0.849915 -0.038256
O -0.842811 -0.637243 -0.479811
O 3.646488 -1.975670 -0.701794
O 1.005769 -2.791016 0.394826
O 4.322399 0.529385 0.683142
O 3.597376 2.859471 -0.555784
O -5.066289 -0.417175 1.552632
N -1.679413 2.668881 -0.032454
C 2.760773 -1.247283 0.158425
C 1.301575 -1.543210 -0.246515
C 3.146455 0.227280 -0.088499
C 0.334015 -0.470915 0.308030
C 2.089964 1.206918 0.467636
C -2.040952 0.067156 -0.086575
C -2.624593 -0.469680 1.244374
C 2.276510 2.643334 -0.067135
C -4.005001 -1.080390 0.878927
C -3.052377 -0.324357 -1.163478
C -4.114615 -0.932213 -0.631592
C -1.822538 1.524830 -0.056178
H 2.947687 -1.555476 1.214021
H 1.194716 -1.641309 -1.352008
H 3.359551 0.406999 -1.169908
H 0.133193 -0.538666 1.392457
H 2.073475 1.172113 1.578908
H -2.736686 0.312418 2.016181
H -1.962886 -1.234285 1.686201
H 2.045141 3.392835 0.710390
H 1.631792 2.821814 -0.955702
H -4.117930 -2.131887 1.223588
H -2.835893 -0.105422 -2.198234
H -4.993907 -1.299207 -1.140481
H 3.509666 -2.944024 -0.577915
H 0.180174 -3.172788 0.017438
H 5.083336 0.004350 0.335632
H 4.267584 2.570042 0.115610
H -5.140099 0.521477 1.275401


%chk=000181811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181811

0 1
O 0.885276 0.994198 -0.410219
O -0.867597 -0.559010 -0.692081
O 3.719110 -2.086043 -0.039620
O 0.884800 -2.720252 0.215848
O 4.428097 0.592949 0.678404
O 3.741288 2.779806 -0.976102
O -5.068488 -0.519596 1.698315
N -2.018506 2.644232 0.305697
C 2.682423 -1.134966 0.369377
C 1.334094 -1.423954 -0.304932
C 3.185845 0.254974 -0.033097
C 0.345975 -0.291880 0.040806
C 2.136860 1.327720 0.325083
C -2.128744 0.004992 -0.125999
C -2.592851 -0.758302 1.166590
C 2.582701 2.755222 -0.083097
C -4.054515 -1.235617 0.896194
C -3.222425 -0.303153 -1.145061
C -4.245338 -1.002502 -0.594402
C -2.019236 1.469467 0.096788
H 2.541201 -1.181015 1.472451
H 1.453049 -1.451215 -1.407267
H 3.359338 0.273696 -1.126734
H 0.160364 -0.259408 1.141328
H 1.929429 1.287366 1.417757
H -2.551255 -0.145933 2.081197
H -1.921349 -1.625340 1.296399
H 2.788315 3.346221 0.831635
H 1.760988 3.233437 -0.639940
H -4.210793 -2.284047 1.197138
H -3.128617 0.040989 -2.177386
H -5.147801 -1.330856 -1.117137
H 3.390391 -3.000883 0.153448
H 0.087620 -3.001027 -0.300846
H 5.040955 -0.182340 0.583784
H 4.489171 2.327784 -0.496682
H -5.092375 0.431289 1.413863


