%chk=000186466.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186466

0 1
O 1.195666 -0.327654 -0.730869
O 1.533081 -0.200918 1.527027
O -0.591914 -3.245178 0.072487
N 0.071327 -1.154637 -0.562083
C 2.964247 1.118025 -0.035570
C 2.324140 2.241288 -0.857489
C 3.639203 1.677502 1.220647
C 3.957643 0.309455 -0.878027
C 1.846219 0.158377 0.425095
C -1.130429 -0.401711 -0.288268
C -2.180681 -0.947009 0.471672
C -1.257989 0.878782 -0.857755
C -3.486795 1.071273 0.089530
C 0.343649 -2.503521 -0.136818
C -3.350095 -0.210468 0.649274
C -2.430957 1.607261 -0.663744
C -4.748360 1.843673 0.297345
C 1.781030 -2.913171 -0.104893
H 1.825576 1.849924 -1.755149
H 1.575974 2.797541 -0.279536
H 3.077738 2.964341 -1.191788
H 2.931886 2.234288 1.849630
H 4.056959 0.881270 1.850311
H 4.457148 2.358647 0.961078
H 3.471964 -0.135209 -1.757473
H 4.420705 -0.501179 -0.304298
H 4.770300 0.948192 -1.245803
H -2.093119 -1.947116 0.908479
H -0.444468 1.291745 -1.453607
H -4.165615 -0.637416 1.232196
H -2.525611 2.597022 -1.106737
H -4.715178 2.843341 -0.153993
H -5.610236 1.320349 -0.142161
H -4.962013 1.980016 1.367280
H 2.253423 -2.595749 0.840109
H 2.367174 -2.489668 -0.933202
H 1.865906 -4.010507 -0.157696


%chk=000186466-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186466

0 1
O 1.208269 -0.333743 -0.632832
O 1.635403 -0.044102 1.670142
O -0.622158 -3.325951 0.216763
N 0.063758 -1.154884 -0.247169
C 3.051795 1.146547 -0.018497
C 2.421980 2.306153 -0.845343
C 3.815553 1.713191 1.203550
C 4.013225 0.318345 -0.921105
C 1.930321 0.231501 0.500954
C -1.173553 -0.432629 -0.137723
C -2.296723 -0.994163 0.529058
C -1.277031 0.862286 -0.705453
C -3.612709 1.050608 0.067258
C 0.317257 -2.528053 -0.066415
C -3.489452 -0.250908 0.619390
C -2.481744 1.587747 -0.594007
C -4.911493 1.829192 0.179907
C 1.761597 -2.974075 -0.235307
H 1.911487 1.924406 -1.745716
H 1.696558 2.882339 -0.242907
H 3.224063 2.995772 -1.165159
H 3.145676 2.293114 1.861581
H 4.261499 0.905149 1.808893
H 4.625503 2.377591 0.852443
H 3.487951 -0.086909 -1.802051
H 4.465485 -0.521567 -0.362751
H 4.831464 0.973388 -1.271418
H -2.230643 -1.997325 0.950182
H -0.426648 1.295573 -1.237165
H -4.346480 -0.698295 1.138040
H -2.541082 2.588531 -1.038544
H -4.822334 2.832617 -0.271220
H -5.740996 1.303907 -0.330496
H -5.212726 1.960024 1.236351
H 2.387769 -2.585338 0.588391
H 2.193511 -2.625638 -1.188294
H 1.773147 -4.073201 -0.198130


