%chk=000203186.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203186

0 1
O -2.523790 1.110492 0.792741
O 4.067599 -0.231388 1.112963
O 2.127566 -3.092304 -1.170539
O 4.410486 -1.921858 -0.344091
N -6.698135 0.653245 0.075374
N -2.052903 -0.829181 -0.367594
C -7.135452 1.375678 -1.165218
C -7.625600 0.933574 1.221375
C -8.551553 0.924075 -1.559377
C -9.049805 0.478546 0.860990
C -9.544628 1.167789 -0.416392
C -5.284675 0.998202 0.427639
C -4.376103 -0.060535 -0.230730
C -2.931576 0.175817 0.139800
C 7.607598 1.008262 0.581078
C 8.264554 1.825150 -0.539616
C 6.150275 0.676050 0.244078
C 9.724666 2.162769 -0.206773
C -0.643250 -0.885273 -0.197674
C 5.503272 -0.146124 1.355310
C 10.382939 2.976074 -1.319086
C 0.030326 -1.975318 -0.783377
C 0.075094 0.094768 0.520125
C 2.165842 -1.086367 0.070766
C 1.423557 -2.058013 -0.637399
C 1.451861 -0.014855 0.646446
C 3.624994 -1.182091 0.199689
H -6.423349 1.120062 -1.978645
H -7.111311 2.480954 -1.047469
H -7.264486 0.355816 2.100081
H -7.633957 2.005758 1.513438
H -8.871781 1.458208 -2.472081
H -8.536411 -0.154481 -1.814597
H -9.058568 -0.620738 0.717545
H -9.731253 0.689801 1.704857
H -10.544988 0.786207 -0.692399
H -9.667245 2.253406 -0.241786
H -4.974529 2.016071 0.105442
H -5.130868 0.972276 1.529447
H -4.510554 -0.039572 -1.332453
H -4.720193 -1.070895 0.083674
H 7.658366 1.569679 1.534127
H 8.178118 0.072927 0.746173
H 8.217326 1.263337 -1.492820
H 7.693559 2.757455 -0.713120
H -2.464373 -1.597284 -0.906125
H 6.092488 0.111992 -0.710864
H 5.566851 1.602925 0.078109
H 9.773830 2.724983 0.746178
H 10.297355 1.229738 -0.037755
H 5.918266 -1.167136 1.424826
H 5.524783 0.354013 2.339561
H 11.424632 3.211373 -1.074332
H 9.862374 3.925668 -1.487246
H 10.384437 2.431196 -2.270145
H -0.503546 -2.738836 -1.335060
H -0.452114 0.939336 0.977476
H 2.012592 0.745267 1.205522
H 1.551690 -3.738689 -1.657268


%chk=000203186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203186

0 1
O -2.651544 1.727662 0.160193
O 4.025462 0.253664 1.155400
O 1.983122 -3.081182 -0.621909
O 4.318322 -1.859503 0.206784
N -6.839245 0.437253 -0.018305
N -2.110060 -0.461024 -0.510177
C -7.362076 1.538445 -0.869574
C -7.738933 0.180726 1.138944
C -8.769324 1.207459 -1.407569
C -9.157192 -0.195399 0.664613
C -9.742297 0.909672 -0.243730
C -5.434593 0.655424 0.399227
C -4.438055 0.315961 -0.740255
C -2.997230 0.609152 -0.320722
C 7.770319 1.028585 0.571246
C 8.571081 1.654280 -0.593264
C 6.262697 0.891397 0.254953
C 10.080164 1.793513 -0.289146
C -0.717463 -0.522249 -0.240862
C 5.486609 0.295438 1.437709
C 10.872918 2.423427 -1.454904
C -0.047977 -1.732495 -0.552097
C 0.017153 0.558674 0.319390
C 2.093636 -0.805576 0.243706
C 1.337805 -1.881043 -0.317031
C 1.392103 0.393962 0.547128
C 3.555759 -0.908529 0.499924
H -6.667592 1.700130 -1.714515
H -7.404631 2.499397 -0.290992
H -7.307893 -0.644420 1.736590
H -7.804233 1.079485 1.808100
H -9.136915 2.054788 -2.017852
H -8.699519 0.321924 -2.068455
H -9.102554 -1.147034 0.101183
H -9.806141 -0.362256 1.545832
H -10.733374 0.608899 -0.632708
H -9.894573 1.833243 0.352573
H -5.241099 1.700729 0.737893
H -5.226257 -0.006872 1.260850
H -4.661882 0.948921 -1.619938
H -4.589150 -0.735797 -1.046727
H 7.905016 1.650401 1.481397
H 8.191585 0.029482 0.807940
H 8.436744 1.035329 -1.504533
H 8.152157 2.654363 -0.831466
H -2.523734 -1.309641 -0.903267
H 6.124064 0.242976 -0.630716
H 5.840361 1.884992 0.007500
H 10.212539 2.408364 0.624673
H 10.498077 0.793288 -0.054299
H 5.835816 -0.728769 1.662622
H 5.565211 0.931008 2.336299
H 11.948563 2.509621 -1.214231
H 10.496288 3.437363 -1.688266
H 10.779658 1.812559 -2.372687
H -0.610756 -2.572643 -0.984296
H -0.493572 1.490840 0.560574
H 1.968051 1.216007 0.978147
H 1.338880 -3.736368 -0.994099


