%chk=000188529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188529

0 1
O -2.311786 -1.941786 0.741667
O -7.418178 1.454741 0.220210
O -6.965673 -0.181270 -1.236815
C 3.924655 -0.272431 -0.004629
C 4.506466 0.421619 1.245318
C 4.319497 0.490571 -1.286970
C 6.031478 0.550447 1.133908
C 5.844917 0.619038 -1.393721
C 6.437537 1.292099 -0.147564
C 2.420124 -0.397663 0.103824
C 1.600034 0.740341 0.190647
C 1.827195 -1.669846 0.121510
C 0.214823 0.610316 0.286179
C 0.442037 -1.799737 0.222907
C -0.377250 -0.660951 0.298349
C -1.851905 -0.870766 0.404813
C -2.745087 0.308647 0.064521
C -4.210478 -0.117528 -0.058186
C -5.132239 1.098252 -0.197808
C -6.537421 0.670967 -0.497919
H 4.375639 -1.296635 -0.065853
H 4.237363 -0.151871 2.151815
H 4.054615 1.423546 1.371083
H 3.858497 1.496203 -1.290391
H 3.918029 -0.033940 -2.173856
H 6.496458 -0.454078 1.148688
H 6.427688 1.082490 2.019081
H 6.109270 1.199499 -2.297447
H 6.298555 -0.381461 -1.530515
H 6.097784 2.344164 -0.093908
H 7.539815 1.329871 -0.227892
H 2.050220 1.732084 0.184455
H 2.447201 -2.563278 0.059788
H -0.398763 1.507688 0.358628
H -0.020934 -2.791398 0.248858
H -2.632620 1.081147 0.853629
H -2.403356 0.781860 -0.878350
H -4.337261 -0.798843 -0.927593
H -4.500132 -0.725873 0.826548
H -4.785603 1.764197 -1.019175
H -5.107722 1.722459 0.723228
H -8.369090 1.221111 0.051539


%chk=000188529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188529

0 1
O -2.345177 -2.184621 0.032514
O -7.441107 1.941386 -0.084973
O -7.209307 -0.362569 0.085744
C 3.971071 -0.257977 0.011027
C 4.465058 0.517934 1.268872
C 4.481343 0.440574 -1.284944
C 6.003283 0.678114 1.271446
C 6.019606 0.600974 -1.278106
C 6.503456 1.363733 -0.022005
C 2.456669 -0.435484 0.007443
C 1.585032 0.687184 -0.023849
C 1.872203 -1.730241 0.036655
C 0.186661 0.523461 -0.024622
C 0.475500 -1.900771 0.035759
C -0.391464 -0.775458 0.005605
C -1.874931 -1.008617 0.007937
C -2.810451 0.207878 -0.019890
C -4.301862 -0.172701 -0.001749
C -5.193127 1.082351 -0.040026
C -6.675302 0.762874 -0.004278
H 4.433404 -1.267722 0.044763
H 4.129082 -0.007065 2.183780
H 3.993085 1.521839 1.286190
H 4.010195 1.441519 -1.368477
H 4.156480 -0.138577 -2.170738
H 6.475292 -0.322657 1.358885
H 6.318666 1.257653 2.160707
H 6.346024 1.126050 -2.196699
H 6.492735 -0.402796 -1.298951
H 6.119277 2.404705 -0.056079
H 7.608582 1.430575 -0.016975
H 2.005197 1.699525 -0.046900
H 2.526643 -2.610222 0.060818
H -0.452832 1.412383 -0.048625
H 0.022653 -2.897788 0.058836
H -2.566370 0.858540 0.845993
H -2.574888 0.810195 -0.922541
H -4.532099 -0.831163 -0.857499
H -4.526348 -0.772782 0.897337
H -5.002387 1.686873 -0.948765
H -4.977779 1.754905 0.814422
H -8.407369 1.701987 -0.055442


