%chk=000191158.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191158

0 1
O 4.158646 0.614811 -0.709825
O 0.967578 -1.315200 -0.341175
O 2.681830 -3.303902 -1.017944
O -0.238622 3.678862 0.574178
O -0.868417 1.529104 2.256812
O -3.072293 0.335791 1.836043
C 3.252860 -1.390812 0.386078
C 1.899976 -0.691969 0.606354
C 3.165438 -2.947597 0.286556
C 3.923737 -0.815569 -0.865847
C 1.941651 0.776924 0.286568
C 3.043177 1.347206 -0.347986
C 0.825805 1.574138 0.615672
C 2.240738 -3.536954 1.353427
C 4.556890 -3.581850 0.338936
C 3.110301 2.743276 -0.636483
C -0.384707 -1.165018 -0.146130
C -0.369709 0.981902 1.274489
C 0.880197 2.939123 0.302719
C -0.997509 -0.214513 0.703343
C 2.015013 3.527762 -0.302526
C 4.325609 3.318671 -1.271722
C -2.394916 -0.396358 0.931676
C -1.117810 -2.117255 -0.862073
C -3.161620 -1.356161 0.220550
C -2.506191 -2.179519 -0.690518
C -4.646339 -1.463435 0.440806
C -5.406821 -0.906490 -0.727730
C -5.912849 0.334827 -0.795975
C -6.664470 0.797786 -2.009357
C -5.793823 1.347817 0.298062
H 3.887372 -1.138398 1.276463
H 1.516769 -0.880613 1.636920
H 4.951451 -1.188189 -1.022743
H 3.310043 -0.973713 -1.772077
H 2.236945 -4.634037 1.293540
H 2.546334 -3.266113 2.367581
H 1.198542 -3.222924 1.212238
H 5.206044 -3.202691 -0.459788
H 4.484770 -4.666995 0.175857
H 5.051653 -3.416680 1.299416
H 1.769069 -2.953854 -1.163502
H 2.023393 4.595172 -0.510903
H 4.083750 4.068879 -2.036358
H 4.969416 3.804764 -0.522054
H 4.939936 2.539651 -1.756769
H -0.611382 -2.799894 -1.537997
H -3.079980 -2.909660 -1.267052
H -0.118796 4.636716 0.350331
H -4.929002 -2.525430 0.601246
H -4.929793 -0.945698 1.385308
H -2.462352 0.994749 2.373834
H -5.515691 -1.599878 -1.559154
H -6.867779 -0.012456 -2.720041
H -7.631255 1.239480 -1.734509
H -6.094363 1.566523 -2.549184
H -4.872286 1.208613 0.890066
H -5.772843 2.374986 -0.083825
H -6.638813 1.271594 0.995180


%chk=000191158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191158

0 1
O 4.339799 0.576764 -0.733751
O 1.054438 -1.338628 -0.612026
O 2.832156 -3.490109 -0.879720
O -0.166534 3.783304 0.272188
O -1.011951 1.686621 1.824946
O -3.076374 0.393639 1.526624
C 3.313224 -1.394074 0.378325
C 1.939989 -0.692821 0.421344
C 3.249616 -2.961637 0.441331
C 4.083754 -0.882222 -0.852950
C 2.024700 0.780331 0.109628
C 3.203156 1.343177 -0.427882
C 0.883218 1.589807 0.372903
C 2.270300 -3.452470 1.535169
C 4.645018 -3.567819 0.684548
C 3.307253 2.742643 -0.667556
C -0.339541 -1.240553 -0.417347
C -0.370356 0.999630 0.930050
C 0.967808 2.983865 0.096686
C -0.975000 -0.253915 0.417481
C 2.176205 3.535748 -0.400534
C 4.592806 3.327728 -1.205404
C -2.402862 -0.436361 0.665425
C -1.083218 -2.242487 -1.061960
C -3.161462 -1.444798 0.005391
C -2.480210 -2.318862 -0.862129
C -4.668098 -1.532128 0.218100
C -5.435421 -0.696511 -0.800657
C -6.207864 0.402719 -0.564871
C -6.917699 1.107470 -1.711426
C -6.436975 1.021116 0.802976
H 3.858386 -1.045026 1.280323
H 1.450584 -0.856043 1.401070
H 5.084103 -1.326729 -0.940225
H 3.513927 -1.069709 -1.781663
H 2.290602 -4.555480 1.560942
H 2.554111 -3.075969 2.536230
H 1.231013 -3.145484 1.325419
H 5.352782 -3.293594 -0.115082
H 4.562413 -4.667858 0.687266
H 5.056750 -3.242250 1.656722
H 1.990277 -3.012420 -1.117495
H 2.231023 4.614403 -0.600387
H 4.501604 4.413692 -1.373688
H 5.431148 3.148347 -0.507405
H 4.877328 2.841396 -2.155966
H -0.560286 -2.977083 -1.680909
H -3.047572 -3.110619 -1.365743
H 0.015359 4.710523 -0.023571
H -4.977103 -2.591821 0.115598
H -4.914134 -1.213861 1.243569
H -2.373723 1.080199 1.896964
H -5.328984 -1.035924 -1.843117
H -6.750994 0.598008 -2.676662
H -8.010473 1.156187 -1.531567
H -6.566764 2.154447 -1.808416
H -5.746415 0.631515 1.566221
H -6.291080 2.117900 0.753383
H -7.479256 0.853388 1.142289


