%chk=000195349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195349

0 1
O -2.687294 2.003057 -0.916362
O -5.221192 1.985387 0.434514
O -6.152271 -0.446643 1.459939
O -4.832513 -2.716395 1.016063
C 3.867027 -0.142930 -0.645245
C 2.499266 -0.186350 0.049238
C 5.010513 -0.058785 0.374896
C 1.354943 -0.269884 -0.970133
C 6.378836 -0.015493 -0.318666
C -0.009496 -0.314947 -0.272374
C 7.522248 0.068639 0.701563
C -1.159992 -0.392136 -1.288118
C 8.890469 0.111935 0.008260
C -2.495002 -0.408633 -0.594123
C 10.035178 0.196182 1.027832
C -3.043623 -1.605447 -0.101217
C -3.194491 0.805503 -0.435417
C -4.296758 -1.545695 0.538387
C -4.445162 0.872924 0.220024
C 11.399610 0.239472 0.343314
C -4.992863 -0.330089 0.709408
C -2.355504 -2.921210 -0.242795
C -4.723385 3.262785 -0.045948
C -7.330306 0.167929 0.868956
H 3.995803 -1.040416 -1.280612
H 3.913302 0.722829 -1.333621
H 2.372125 0.710173 0.686596
H 2.454472 -1.052417 0.737866
H 4.882711 0.838369 1.010936
H 4.965276 -0.924504 1.063608
H 1.484000 -1.167423 -1.605895
H 1.402617 0.595658 -1.658369
H 6.507532 -0.912846 -0.954151
H 6.425008 0.850228 -1.007119
H -0.060219 -1.186500 0.411601
H -0.139268 0.573034 0.377019
H 7.394035 0.965860 1.337328
H 7.476604 -0.797126 1.390078
H -1.048358 -1.291256 -1.928817
H -1.102593 0.470902 -1.990890
H 9.020534 -0.784784 -0.627534
H 8.938000 0.977133 -0.680501
H 9.990165 -0.670167 1.716474
H 9.907567 1.094218 1.663470
H 11.574484 -0.655063 -0.265159
H 11.491984 1.108316 -0.318169
H 12.209732 0.299449 1.078605
H -2.315022 -3.240479 -1.293270
H -1.326470 -2.884358 0.140860
H -2.882117 -3.714305 0.314441
H -1.805259 1.850446 -1.362663
H -5.716940 -2.528883 1.456511
H -4.611335 3.236866 -1.134561
H -3.770207 3.499086 0.439301
H -5.520792 3.943195 0.270565
H -7.182459 1.253362 0.793950
H -8.104954 -0.078062 1.602651
H -7.536599 -0.274010 -0.107726


%chk=000195349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195349

0 1
O -2.552101 1.878773 -1.030279
O -5.112281 2.125814 0.143574
O -6.399768 -0.255888 1.163109
O -5.256072 -2.663158 0.895042
C 3.902041 -0.257838 -0.618896
C 2.505408 -0.131952 0.030423
C 5.061561 0.076619 0.346256
C 1.351324 -0.461200 -0.942921
C 6.455536 -0.057379 -0.307168
C -0.045812 -0.350129 -0.294675
C 7.619368 0.284850 0.650244
C -1.196295 -0.696332 -1.283748
C 9.011379 0.149457 -0.007247
C -2.583139 -0.578613 -0.664972
C 10.177165 0.498253 0.946121
C -3.269160 -1.729357 -0.176494
C -3.187751 0.703487 -0.556431
C -4.547024 -1.553978 0.400037
C -4.463014 0.878618 0.045561
C 11.562913 0.362412 0.278660
C -5.145641 -0.270871 0.502880
C -2.679257 -3.125932 -0.261381
C -4.389098 3.175126 0.897030
C -7.520578 0.377359 0.426353
H 4.033848 -1.290404 -1.005092
H 3.957223 0.412722 -1.502313
H 2.374039 0.898485 0.422063
H 2.447564 -0.807395 0.909350
H 4.933901 1.111070 0.728745
H 5.006188 -0.590548 1.231971
H 1.489161 -1.489314 -1.338801
H 1.409346 0.217816 -1.820591
H 6.584634 -1.093578 -0.684562
H 6.507515 0.604857 -1.196991
H -0.107611 -1.036277 0.573155
H -0.190594 0.670675 0.113928
H 7.491536 1.321574 1.026719
H 7.568882 -0.376625 1.540654
H -1.039381 -1.724196 -1.655529
H -1.099548 -0.052893 -2.188406
H 9.142447 -0.888273 -0.379851
H 9.061016 0.807611 -0.900265
H 10.127994 -0.160271 1.837528
H 10.044652 1.534679 1.318775
H 11.731950 -0.671924 -0.076336
H 11.647940 1.034217 -0.596528
H 12.378822 0.616377 0.980302
H -2.569607 -3.460701 -1.311123
H -1.678799 -3.178361 0.207270
H -3.336466 -3.843895 0.252041
H -1.729527 1.636574 -1.523234
H -6.095166 -2.303906 1.297659
H -3.436372 3.419657 0.399595
H -4.206894 2.843014 1.936946
H -5.062660 4.045905 0.892598
H -7.287114 1.435222 0.228549
H -8.393290 0.283365 1.090701
H -7.703735 -0.157699 -0.525205


