%chk=000209162.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209162

0 1
O -4.933162 -1.281989 0.338626
O 3.817372 -2.424272 0.157544
O -4.261930 -3.152557 -0.820148
O 4.955480 -0.476931 -0.296734
N -0.320699 0.282765 -0.159524
N -6.292283 -2.102786 -1.260627
N 5.842495 -2.117159 1.095521
C -1.260392 -0.394997 0.773889
C 0.625378 -0.624853 -0.851361
C -2.627459 -0.545728 0.084829
C 1.821579 -1.042108 0.022047
C 0.018251 1.641591 0.051063
C -3.635956 -1.215687 1.008855
C 2.731190 -2.007177 -0.727129
C 1.170613 2.201093 -0.543983
C -0.847953 2.478386 0.796529
C 1.448136 3.565181 -0.398618
C -0.554043 3.833687 0.927857
C 0.584826 4.388808 0.341413
C 2.671024 4.137165 -1.042096
C -5.082597 -2.284732 -0.607068
C 4.884124 -1.545381 0.273013
H -1.365622 0.180619 1.721715
H -0.867659 -1.395241 1.063750
H 0.984914 -0.118141 -1.778492
H 0.057956 -1.522429 -1.188710
H -3.003236 0.443751 -0.248707
H -2.520444 -1.137408 -0.849890
H 2.402032 -0.142655 0.328244
H 1.478912 -1.500079 0.969653
H -3.335366 -2.236746 1.305312
H -3.894941 -0.607194 1.894659
H 2.256479 -2.981780 -0.944569
H 3.162275 -1.565587 -1.643793
H 1.854395 1.585110 -1.121702
H -1.748301 2.081146 1.252857
H -1.228253 4.472008 1.499838
H 0.798101 5.445761 0.455881
H 3.552884 3.501026 -0.876266
H 2.535178 4.221976 -2.130078
H 2.919778 5.137406 -0.666490
H -6.647934 -2.842913 -1.846916
H -6.949958 -1.408273 -0.942785
H 6.622009 -1.556782 1.404889
H 5.652511 -2.969096 1.598199


%chk=000209162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209162

0 1
O -5.087737 -1.110337 0.097336
O 4.053361 -2.422760 0.140191
O -4.346258 -3.143635 -0.852121
O 4.941316 -0.392939 -0.684068
N -0.236159 0.175759 0.252357
N -6.363736 -2.120895 -1.487246
N 6.162398 -1.816014 0.730859
C -1.384447 -0.398338 0.969098
C 0.620523 -0.759339 -0.493203
C -2.689523 -0.423741 0.126852
C 1.883159 -1.203842 0.294284
C 0.014951 1.561540 0.246326
C -3.844215 -1.062525 0.909684
C 2.778054 -2.113712 -0.558474
C 1.196215 2.096193 -0.359222
C -0.895153 2.484959 0.850255
C 1.463729 3.483773 -0.378084
C -0.618729 3.866494 0.841400
C 0.548287 4.378362 0.233715
C 2.719614 4.004950 -1.059320
C -5.192644 -2.217727 -0.768511
C 5.054700 -1.439174 0.004115
H -1.549318 0.154343 1.914352
H -1.126356 -1.435961 1.259089
H 0.925964 -0.299125 -1.453608
H 0.014768 -1.648886 -0.754428
H -2.959725 0.603742 -0.176682
H -2.510453 -1.009086 -0.793928
H 2.455944 -0.307647 0.590238
H 1.580944 -1.727085 1.220920
H -3.587137 -2.091685 1.222923
H -4.130152 -0.461175 1.789412
H 2.325538 -3.104625 -0.730715
H 3.015213 -1.633223 -1.525992
H 1.937904 1.429053 -0.810153
H -1.820861 2.135943 1.317124
H -1.332516 4.552390 1.313526
H 0.749772 5.455631 0.234309
H 3.515652 3.240026 -1.083679
H 2.509917 4.297924 -2.106837
H 3.115796 4.897865 -0.543417
H -6.589075 -2.853439 -2.153814
H -6.988501 -1.330189 -1.350249
H 6.977355 -1.209731 0.727218
H 6.161327 -2.685314 1.258665


