%chk=000187248.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187248

0 1
O -2.560426 2.234815 0.173232
O -3.132132 -1.404220 0.789065
O -4.667214 2.130842 -0.846553
O -3.735041 -2.476214 -1.200073
C -2.865205 0.970838 0.918423
C -2.580804 -0.227838 -0.001148
C -1.958997 0.950897 2.146667
C -0.114918 0.092788 0.539777
C -0.456741 0.907082 1.781974
C -1.109224 -0.433970 -0.294011
C 1.283914 -0.109577 0.192894
C -0.761976 -1.173252 -1.483951
C 1.624544 -0.870343 -1.007470
C 0.561609 -1.391346 -1.827767
C 2.343707 0.410669 0.978690
C 2.983453 -1.075896 -1.346786
C 3.705734 0.207530 0.639449
C 4.037857 -0.559290 -0.555657
C -3.559505 2.709418 -0.692762
C -3.677823 -2.462652 0.050329
C 4.779736 0.736093 1.442004
C 5.424818 -0.762499 -0.889742
C 6.108720 0.520595 1.089330
C 6.435059 -0.237493 -0.089709
C -3.108365 3.972458 -1.392445
C -4.147580 -3.568006 0.971642
H -3.936934 0.973753 1.184445
H -3.169504 -0.170949 -0.933316
H -2.236257 0.056071 2.733670
H -2.167617 1.837264 2.771776
H 0.099889 0.501498 2.649327
H -0.083685 1.939947 1.633876
H -1.575743 -1.568358 -2.101437
H 0.817931 -1.956238 -2.731392
H 2.121667 0.992737 1.879554
H 3.222893 -1.651411 -2.250032
H 4.531117 1.313852 2.340483
H 5.671172 -1.340045 -1.788844
H 6.916691 0.927315 1.707338
H 7.486700 -0.397183 -0.351994
H -2.919597 3.748452 -2.457808
H -2.188853 4.373955 -0.943036
H -3.914468 4.723616 -1.352220
H -4.321614 -3.193355 1.991060
H -3.372996 -4.355539 1.013832
H -5.065599 -4.020611 0.564719


%chk=000187248-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187248

0 1
O -2.590479 2.226893 0.211021
O -3.123791 -1.426575 0.731792
O -4.746664 2.139485 -0.683315
O -3.821291 -2.375277 -1.289273
C -2.841584 0.943611 0.940962
C -2.546186 -0.231151 -0.007196
C -1.900842 0.922308 2.143502
C -0.073048 0.109458 0.524722
C -0.420286 0.995574 1.715094
C -1.071387 -0.454473 -0.280546
C 1.324743 -0.115753 0.187701
C -0.726901 -1.260723 -1.427367
C 1.661416 -0.945674 -0.967153
C 0.595397 -1.506791 -1.756439
C 2.387603 0.451221 0.936243
C 3.019042 -1.173651 -1.296983
C 3.748412 0.226693 0.605717
C 4.076367 -0.612081 -0.541137
C -3.642046 2.717150 -0.581338
C -3.744274 -2.418248 -0.041394
C 4.825013 0.802994 1.371037
C 5.462182 -0.836273 -0.866352
C 6.152815 0.565519 1.028178
C 6.475094 -0.263622 -0.103168
C -3.226411 4.001227 -1.263523
C -4.269599 -3.521103 0.852067
H -3.906199 0.909846 1.230971
H -3.113446 -0.138335 -0.950458
H -2.094955 -0.023810 2.683014
H -2.141579 1.755256 2.827562
H 0.211318 0.727906 2.583037
H -0.167621 2.043003 1.454871
H -1.541557 -1.677204 -2.029828
H 0.848540 -2.121516 -2.627886
H 2.169080 1.090385 1.798476
H 3.255241 -1.801540 -2.165540
H 4.579266 1.434698 2.233261
H 5.705557 -1.467860 -1.729205
H 6.962888 1.008679 1.617716
H 7.525853 -0.439628 -0.358469
H -2.426409 3.792640 -1.995901
H -2.819350 4.714818 -0.527601
H -4.090138 4.442327 -1.781161
H -4.876860 -3.099322 1.670206
H -3.423301 -4.061600 1.312076
H -4.871227 -4.223279 0.257410


