%chk=000198094.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198094

0 1
O -2.134866 -0.237665 1.593144
O -1.268764 -2.658348 1.049287
O 1.800623 -1.960589 -1.347034
O -4.368827 1.011415 0.206730
C 1.590098 -0.239091 0.476338
C -1.691632 -0.414945 0.240157
C 1.283461 1.293588 0.553157
C -1.086550 0.903508 -0.336877
C -2.932270 -0.693863 -0.685280
C 0.575698 -1.124157 1.198246
C -0.651683 -1.553073 0.377345
C 1.833654 -0.572424 -1.041583
C 3.262298 0.026263 -1.226541
C -0.200712 1.601824 0.662838
C -2.292436 1.716981 -0.854260
C -3.493101 0.748670 -0.913769
C 1.852773 2.105162 -0.644133
C 3.126920 1.558399 -1.317199
C 2.991809 -0.452047 1.060899
C 3.926885 -0.322692 0.105358
C -2.504274 -1.280166 -2.035041
C -3.949573 -1.613375 -0.018969
C -0.657022 2.443203 1.593548
C 5.394416 -0.462261 0.215810
H 1.790755 1.665350 1.481253
H -0.462459 0.617464 -1.227831
H 0.230732 -0.616269 2.125878
H 1.070262 -2.057057 1.545340
H -0.359573 -1.989672 -0.607660
H 1.067461 -0.159714 -1.728216
H 3.785505 -0.398361 -2.100430
H -2.518044 2.570311 -0.188736
H -2.074996 2.152517 -1.842214
H -4.088210 0.841134 -1.839800
H 2.047415 3.137485 -0.293227
H 1.067912 2.210048 -1.420403
H 3.132089 1.868024 -2.379376
H 4.019615 2.032042 -0.864010
H 3.126192 -0.662684 2.103625
H -2.057239 -2.276645 -1.902576
H -3.362727 -1.412169 -2.703418
H -1.770490 -0.658068 -2.555894
H -3.486242 -2.577401 0.239875
H -4.339921 -1.175603 0.911019
H -4.808947 -1.807812 -0.667136
H -2.922533 0.368913 1.617034
H -1.701996 2.684382 1.716024
H -0.028088 2.934949 2.318491
H -1.734537 -2.334776 1.862231
H 2.338554 -2.477589 -0.709859
H 5.723284 -0.618264 1.252807
H 5.914171 0.431252 -0.159825
H 5.758540 -1.317449 -0.373423
H -4.758309 1.901644 0.134686


%chk=000198094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198094

0 1
O -2.206817 -0.255870 1.662741
O -1.329843 -2.710185 1.024940
O 2.056206 -2.157041 -1.234523
O -4.336786 1.005490 0.585878
C 1.626205 -0.271236 0.414178
C -1.762639 -0.418936 0.265092
C 1.294079 1.291724 0.423492
C -1.161978 0.918714 -0.326193
C -3.032408 -0.664203 -0.656050
C 0.570666 -1.163318 1.118841
C -0.714367 -1.553373 0.344912
C 2.006347 -0.702431 -1.051785
C 3.405103 -0.036635 -1.201696
C -0.187361 1.628801 0.603530
C -2.402209 1.728346 -0.828789
C -3.624095 0.777356 -0.710836
C 1.842927 2.005589 -0.863099
C 3.226540 1.509140 -1.384230
C 3.005090 -0.428511 1.087580
C 4.017468 -0.313506 0.184815
C -2.634690 -1.085631 -2.096935
C -4.037663 -1.704583 -0.111658
C -0.580551 2.507687 1.562415
C 5.502171 -0.337501 0.421543
H 1.829412 1.714257 1.296281
H -0.593964 0.601414 -1.221840
H 0.275343 -0.692316 2.077289
H 1.048316 -2.129173 1.371007
H -0.440721 -1.917785 -0.658327
H 1.286779 -0.376261 -1.819995
H 3.983754 -0.478358 -2.032928
H -2.560709 2.648451 -0.238984
H -2.256478 2.046281 -1.877202
H -4.352127 0.899182 -1.536438
H 1.883988 3.093433 -0.665898
H 1.099621 1.879278 -1.675070
H 3.315502 1.784385 -2.453007
H 4.045860 2.032884 -0.854991
H 3.113399 -0.553416 2.170664
H -2.156020 -2.079764 -2.085371
H -3.540194 -1.162785 -2.727189
H -1.942526 -0.379157 -2.589234
H -3.573384 -2.704518 -0.111781
H -4.362265 -1.472452 0.914247
H -4.939904 -1.725509 -0.751943
H -3.057705 0.275533 1.644431
H -1.628996 2.784184 1.718788
H 0.146782 2.969632 2.240860
H -1.839875 -2.308985 1.782775
H 2.640985 -2.531551 -0.525101
H 5.749029 -0.468439 1.489425
H 5.975867 0.603010 0.074401
H 5.985196 -1.156862 -0.146902
H -4.671262 1.935818 0.614270


