%chk=000212397.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212397

0 1
O 4.994646 0.454621 -0.657502
O 4.915128 -0.863942 1.208008
N 0.657006 0.787574 0.447773
N -2.999248 -0.094669 0.239087
N 3.505656 0.996914 1.002718
C -0.593378 0.200800 -0.135233
C -1.744609 0.423198 0.871650
C 1.611459 1.196254 -0.635312
C 1.316847 -0.176499 1.389035
C -4.198419 0.702348 0.655946
C -3.189273 -1.557051 0.509500
C 2.841609 1.876190 -0.000097
C 2.548745 0.491939 2.031200
C -4.287163 1.989325 -0.204698
C -3.999775 -2.191710 -0.650510
C -4.718022 1.657793 -1.637152
C -5.263775 2.978127 0.445282
C -4.519433 -3.570599 -0.223707
C -3.145982 -2.298529 -1.918477
C 4.478962 0.074058 0.570052
C 6.166258 -0.283588 -1.132827
C 5.745437 -1.634303 -1.672721
H -0.500753 -0.874513 -0.394287
H -0.849719 0.722948 -1.083922
H -1.835569 1.513936 1.074507
H -1.513109 -0.049633 1.847985
H 1.934692 0.349235 -1.277756
H 1.092251 1.926277 -1.294174
H 0.585095 -0.435807 2.185060
H 1.613304 -1.130349 0.901127
H -4.184356 0.963282 1.734772
H -5.116006 0.095528 0.497541
H -3.694563 -1.750754 1.478860
H -2.198577 -2.054239 0.575432
H 2.532887 2.803956 0.536026
H 3.572973 2.170894 -0.785668
H 3.071303 -0.221886 2.708157
H 2.238617 1.370537 2.642618
H -3.274439 2.464124 -0.244095
H -4.877192 -1.533436 -0.874277
H -5.739346 1.267636 -1.678321
H -4.671925 2.538884 -2.283475
H -4.057200 0.890601 -2.064612
H -6.268252 2.553366 0.543448
H -5.356832 3.888998 -0.156705
H -4.930641 3.279868 1.443256
H -5.187307 -3.502475 0.640705
H -5.083161 -4.045005 -1.034833
H -3.702242 -4.250171 0.039983
H -2.307816 -2.989879 -1.791586
H -3.737513 -2.646555 -2.770456
H -2.728348 -1.316173 -2.178514
H 6.533404 0.406526 -1.914381
H 6.891698 -0.364831 -0.303654
H 5.380866 -2.284090 -0.860907
H 4.934429 -1.543663 -2.405236
H 6.581474 -2.151590 -2.157034


%chk=000212397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212397

0 1
O 5.450460 0.529602 -0.578814
O 5.245971 -0.600197 1.479172
N 0.599805 0.562003 0.127563
N -3.175897 -0.051930 0.254024
N 3.440523 0.575381 0.546911
C -0.740563 0.104534 -0.319009
C -1.842559 0.406402 0.720295
C 1.531681 0.776704 -1.009828
C 1.220593 -0.340592 1.132636
C -4.286849 0.795997 0.761554
C -3.408212 -1.504051 0.478521
C 2.850422 1.407568 -0.519788
C 2.531216 0.266754 1.667379
C -4.459560 2.131752 -0.008654
C -4.335003 -2.158587 -0.579772
C -4.890345 1.879169 -1.470147
C -5.470633 3.040943 0.728731
C -4.723485 -3.588037 -0.135574
C -3.672364 -2.161748 -1.974661
C 4.736747 0.108944 0.565683
C 6.847975 0.023532 -0.670253
C 6.888921 -1.370846 -1.302835
H -0.740816 -0.985070 -0.575293
H -1.003866 0.646650 -1.245586
H -1.867602 1.500098 0.868810
H -1.582532 -0.041596 1.711028
H 1.763067 -0.182654 -1.540365
H 1.053442 1.460802 -1.734691
H 0.523320 -0.482276 1.976943
H 1.437573 -1.348377 0.692981
H -4.159445 1.016614 1.852356
H -5.229627 0.222793 0.665504
H -3.830339 -1.690467 1.498958
H -2.430414 -2.023631 0.445435
H 2.633748 2.416640 -0.114047
H 3.571562 1.500674 -1.344063
H 3.045760 -0.432688 2.345503
H 2.300320 1.200442 2.218542
H -3.477862 2.650091 -0.023587
H -5.262372 -1.551480 -0.642444
H -5.906616 1.438826 -1.505439
H -4.909227 2.819674 -2.051644
H -4.193820 1.174819 -1.957930
H -6.463518 2.553926 0.790629
H -5.601858 4.000679 0.196047
H -5.138799 3.265583 1.760283
H -5.250681 -3.582763 0.837428
H -5.385912 -4.067266 -0.879672
H -3.823615 -4.225220 -0.029626
H -2.788712 -2.830486 -1.986579
H -4.374888 -2.516896 -2.751386
H -3.337906 -1.143674 -2.240477
H 7.355098 0.776376 -1.295940
H 7.286422 0.012456 0.342938
H 6.382544 -2.103358 -0.652089
H 6.400549 -1.369764 -2.293032
H 7.938981 -1.692974 -1.435031


