%chk=000191636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191636

0 1
O 5.461590 0.207511 -0.770638
O -0.594638 0.681803 1.425896
O -2.303419 -0.975227 -1.687151
O -3.151494 -2.298161 -0.101693
N 3.350013 0.610969 0.075511
C 2.066714 1.249937 -0.333474
C 2.376464 1.870738 -1.726148
C 1.607134 2.290028 0.706374
C 3.825707 1.497219 -2.071023
C 3.496843 -0.156678 1.333205
C 4.355052 0.696543 -0.890945
C 2.332377 -1.116085 1.608628
C 0.166071 2.738569 0.457471
C 2.231620 -2.244942 0.576774
C -0.838196 1.626102 0.706936
C 1.087532 -3.216527 0.896764
C -2.146507 1.776160 -0.037734
C -0.304787 -2.588390 0.773642
C -3.297650 1.029938 0.645671
C -4.504658 0.878525 -0.288574
C -0.767095 -2.471418 -0.685509
C -5.541108 -0.091539 0.294092
C -2.176188 -1.968645 -0.736077
C -6.781081 -0.194016 -0.589147
H 1.281350 0.454863 -0.429779
H 1.675330 1.484541 -2.484562
H 2.247912 2.966372 -1.715085
H 1.678712 1.849356 1.725535
H 2.287669 3.162287 0.710103
H 3.896934 0.894754 -2.995037
H 4.461331 2.385839 -2.238591
H 4.462745 -0.718295 1.274641
H 3.596916 0.562569 2.178520
H 2.463063 -1.544168 2.622637
H 1.367683 -0.559216 1.651983
H 0.059776 3.144968 -0.567317
H -0.080723 3.585208 1.134280
H 3.188254 -2.803343 0.538118
H 2.098728 -1.819702 -0.436509
H 1.165404 -4.103934 0.238728
H 1.212816 -3.605854 1.927911
H -2.414441 2.840100 -0.179400
H -1.987862 1.366812 -1.063467
H -0.312580 -1.579375 1.249278
H -1.039151 -3.192732 1.345891
H -3.595393 1.557014 1.572267
H -2.944607 0.028764 0.982487
H -4.966564 1.864540 -0.482845
H -4.172373 0.500973 -1.286017
H -0.086973 -1.805903 -1.259128
H -0.718632 -3.459976 -1.192508
H -5.831047 0.229770 1.313153
H -5.080093 -1.098371 0.415999
H -7.282578 0.773390 -0.702179
H -7.510165 -0.891949 -0.159528
H -6.537174 -0.561001 -1.592144
H -3.240561 -0.582017 -1.699687


%chk=000191636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191636

0 1
O 5.402239 -0.026078 -0.874018
O -0.722485 0.566707 1.251469
O -2.124444 -1.209313 -1.796698
O -2.824430 -2.650016 -0.120929
N 3.355369 0.656900 0.092004
C 2.079166 1.303875 -0.304174
C 2.452243 2.011048 -1.644719
C 1.522736 2.260570 0.774999
C 3.671350 1.225851 -2.185621
C 3.546866 -0.035250 1.378410
C 4.278929 0.551178 -0.945969
C 2.491033 -1.135513 1.653957
C 0.088997 2.728081 0.450967
C 2.515912 -2.285718 0.621346
C -0.973818 1.633706 0.626081
C 1.456718 -3.386599 0.887382
C -2.338231 1.890870 -0.011711
C -0.021524 -2.932684 0.787701
C -3.488653 1.058436 0.591010
C -4.764054 1.068774 -0.280230
C -0.401538 -2.433852 -0.623297
C -5.882050 0.162275 0.284627
C -1.880999 -2.148756 -0.770451
C -7.153812 0.157434 -0.590434
H 1.316260 0.516660 -0.488570
H 1.605668 2.026422 -2.351208
H 2.740239 3.057719 -1.433502
H 1.498184 1.744358 1.751680
H 2.197831 3.131952 0.871692
H 3.379133 0.433532 -2.900768
H 4.424812 1.855870 -2.685283
H 4.561812 -0.472039 1.331584
H 3.536968 0.703408 2.204151
H 2.694781 -1.547379 2.663604
H 1.483235 -0.680397 1.700282
H 0.009293 3.146773 -0.572491
H -0.201807 3.559462 1.128006
H 3.523244 -2.748011 0.623736
H 2.382786 -1.871546 -0.398776
H 1.624220 -4.222547 0.176525
H 1.624938 -3.804122 1.901142
H -2.558769 2.976809 0.008870
H -2.218219 1.630152 -1.087758
H -0.233826 -2.129793 1.516898
H -0.682515 -3.778822 1.053321
H -3.729288 1.441123 1.602734
H -3.141208 0.019330 0.735246
H -5.146422 2.105631 -0.386766
H -4.511770 0.734198 -1.312081
H 0.151683 -1.520602 -0.901020
H -0.136904 -3.201355 -1.381250
H -6.138049 0.500324 1.309143
H -5.491559 -0.870236 0.386741
H -7.577340 1.175418 -0.684893
H -7.935513 -0.495211 -0.160898
H -6.933824 -0.209899 -1.611130
H -3.109592 -1.080408 -1.880067


