%chk=000184033.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184033

0 1
O 2.880864 0.122754 0.184346
O -1.743455 1.766430 0.599040
O 3.500838 1.333638 0.701334
O -2.793810 1.962786 1.587152
O -0.275403 -0.782811 -1.917708
O 0.782518 -1.661668 1.474446
O -1.424109 -2.778316 -1.818870
O 2.568367 -3.106751 1.535991
N -1.106845 -1.639681 -3.820902
N 1.842827 -1.966696 3.445215
C -0.132785 -0.623636 -0.447621
C 1.996562 0.893746 -0.741836
C -2.406712 0.540398 0.047437
C 0.535774 0.749361 -0.331187
C -1.500404 -0.665377 0.248160
C 2.704896 2.203744 -0.221525
C -3.536340 0.746155 1.126009
C 0.734466 -1.812021 0.023986
C 2.291926 0.488948 -2.167473
C -2.798431 0.783925 -1.391386
C 1.881826 3.173987 0.595659
C 3.646507 2.899447 -1.181328
C -3.609352 -0.252150 2.260290
C -4.902052 1.159193 0.621921
C -0.974177 -1.846170 -2.451777
C 1.846325 -2.313516 2.094776
H 0.429205 1.058730 0.743541
H -0.062074 1.493872 -0.907525
H -2.046633 -1.591496 -0.049761
H -1.297913 -0.799738 1.342886
H 1.762879 -1.788715 -0.386678
H 0.266931 -2.793122 -0.192121
H 3.365563 0.299824 -2.310490
H 1.980609 1.261409 -2.879039
H 1.767105 -0.437209 -2.445773
H -3.253646 1.775165 -1.521904
H -1.925573 0.747479 -2.061380
H -3.511390 0.031240 -1.749333
H 2.523411 3.888090 1.129216
H 1.188477 3.751355 -0.027242
H 1.286423 2.660879 1.367237
H 3.110396 3.366011 -2.014360
H 4.385606 2.198818 -1.595633
H 4.221781 3.685575 -0.673695
H -4.231590 0.126638 3.082630
H -4.035296 -1.208836 1.935188
H -2.617215 -0.451381 2.692884
H -5.572518 1.421356 1.451412
H -4.841466 2.050926 -0.018012
H -5.382564 0.358859 0.047784
H -1.384606 -2.422233 -4.398380
H -0.580680 -0.909142 -4.276572
H 1.333027 -1.143858 3.736765
H 2.687524 -2.158119 3.970510


%chk=000184033-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184033

0 1
O 2.948408 0.035176 0.194895
O -1.880437 1.925638 0.686344
O 3.129416 1.301229 1.106286
O -3.302943 2.260943 1.264422
O -0.348369 -0.745852 -1.979958
O 0.852043 -1.669378 1.437622
O -1.671552 -2.724235 -1.919723
O 2.582860 -3.267074 1.306697
N -1.062125 -1.669210 -3.917649
N 2.275226 -1.902751 3.195475
C -0.196728 -0.618020 -0.479406
C 2.028828 0.869226 -0.714488
C -2.483479 0.644250 0.062846
C 0.562364 0.712678 -0.261731
C -1.571324 -0.575698 0.250216
C 2.694525 2.166162 -0.095655
C -3.680236 0.778708 1.085157
C 0.593402 -1.863629 -0.001624
C 2.314910 0.537717 -2.176330
C -2.862624 0.951750 -1.389417
C 1.828197 3.329974 0.384067
C 3.958811 2.648820 -0.815563
C -3.489119 0.068290 2.431048
C -5.115542 0.665180 0.576594
C -1.082854 -1.805653 -2.545399
C 1.983005 -2.361069 1.931705
H 0.534366 0.895856 0.826368
H -0.027337 1.520188 -0.735405
H -2.141226 -1.477091 -0.045290
H -1.327199 -0.682483 1.320525
H 1.553066 -1.961510 -0.536579
H -0.001871 -2.780540 -0.146203
H 3.365104 0.742281 -2.436065
H 1.654630 1.125579 -2.839317
H 2.109378 -0.526087 -2.377688
H -3.453164 1.881611 -1.437945
H -1.957813 1.081725 -2.003928
H -3.452771 0.125092 -1.827369
H 2.407881 3.938522 1.102513
H 1.560653 3.985849 -0.465100
H 0.901195 3.006558 0.880150
H 3.716697 3.113243 -1.789670
H 4.657936 1.812144 -0.978272
H 4.468744 3.404388 -0.192158
H -4.275191 0.399177 3.132425
H -3.561950 -1.029743 2.325301
H -2.511316 0.322729 2.871998
H -5.801937 1.126537 1.310078
H -5.260431 1.171256 -0.389830
H -5.404161 -0.396927 0.470490
H -1.534484 -2.371475 -4.480476
H -0.550184 -0.908402 -4.357700
H 1.826135 -1.062732 3.551820
H 3.076184 -2.300820 3.677199


