%chk=000186098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186098

0 1
O -4.820947 2.140715 -0.187652
O 0.709167 -1.438018 0.812284
N -0.901311 -0.161705 -0.222549
N 1.386284 0.443650 -0.393024
C -3.154205 -1.158933 -0.660028
C -2.011092 -0.953543 0.373509
C -3.861839 0.164943 -0.989630
C -2.554577 -0.263698 1.645091
C -4.374585 0.849015 0.283228
C -3.279426 1.048927 1.343226
C -2.649614 -1.842842 -1.930636
C 0.424533 -0.463538 0.133842
C 2.802363 0.321931 -0.230756
C 3.603531 1.286289 -0.880085
C 3.395359 -0.690400 0.543551
C 4.990680 1.225339 -0.742330
C 4.784219 -0.729930 0.665128
C 5.587102 0.222097 0.027439
H -3.899565 -1.840306 -0.172259
H -1.592663 -1.960162 0.660410
H -3.193180 0.856676 -1.537542
H -4.708860 -0.009287 -1.681839
H -1.719504 -0.079144 2.350961
H -3.234225 -0.962382 2.170798
H -5.252160 0.314921 0.707971
H -3.714310 1.462262 2.272002
H -2.562639 1.815540 0.988427
H -3.473250 -2.074998 -2.614607
H -1.933823 -1.218119 -2.478209
H -2.135308 -2.784306 -1.701128
H -1.161219 0.717349 -0.655698
H -5.220853 2.655927 0.534388
H 1.073944 1.202859 -0.998788
H 3.156252 2.071508 -1.482017
H 2.775446 -1.442141 1.044480
H 5.612088 1.968347 -1.241494
H 5.245550 -1.514599 1.265290
H 6.668137 0.181357 0.129447


%chk=000186098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186098

0 1
O -5.064726 2.075842 -0.512645
O 0.681909 -1.657252 0.736771
N -0.887872 0.005772 0.239669
N 1.384893 0.430711 -0.126367
C -2.987598 -1.123269 -0.578638
C -2.053942 -0.809598 0.633174
C -3.712024 0.159511 -1.064913
C -2.856308 -0.121217 1.769156
C -4.490234 0.845598 0.067669
C -3.582085 1.155673 1.276724
C -2.236720 -1.826391 -1.727711
C 0.415192 -0.491581 0.312656
C 2.795677 0.259973 -0.181690
C 3.562335 1.351199 -0.677678
C 3.457226 -0.929455 0.228417
C 4.965941 1.258186 -0.763358
C 4.863766 -1.004817 0.135582
C 5.629431 0.077118 -0.356540
H -3.759923 -1.822515 -0.189918
H -1.623565 -1.755352 1.008816
H -2.981485 0.884445 -1.480594
H -4.409179 -0.083727 -1.887858
H -2.177579 0.119323 2.607639
H -3.604962 -0.843455 2.153064
H -5.309076 0.168944 0.405482
H -4.179781 1.591046 2.102998
H -2.850874 1.933714 0.975021
H -2.932633 -2.108650 -2.539030
H -1.463623 -1.163478 -2.157923
H -1.729104 -2.741080 -1.371829
H -1.062262 0.949346 -0.108906
H -5.593730 2.542267 0.183935
H 1.051305 1.340287 -0.452727
H 3.057479 2.272998 -0.997450
H 2.865140 -1.764261 0.606944
H 5.539632 2.108722 -1.148491
H 5.364815 -1.926140 0.454259
H 6.720044 0.003163 -0.422510


