%chk=000188773.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188773

0 1
O 6.086912 -1.245307 -0.252322
O 5.083659 0.852247 -0.231382
O 0.898166 -1.045687 -0.974191
O 5.043772 -1.986500 1.670757
O 1.096361 3.014398 1.490973
O -0.943020 -2.135436 -1.458042
O -5.551841 1.837619 0.214729
O -6.701302 -1.247587 1.339891
O -6.950367 -1.529667 -1.343729
N -3.515673 -0.645733 -0.423829
C 3.898744 -1.047944 -1.250808
C 5.307966 -0.392278 -1.044371
C 2.990190 -0.067823 -0.576436
C 4.006545 -2.396946 -0.521028
C 5.281327 -2.317236 0.331468
C 3.749422 0.980728 -0.005997
C 1.602491 -0.046592 -0.437781
C 0.968900 1.028866 0.278956
C -0.447784 0.981612 0.369345
C -1.331435 1.984418 1.053250
C -1.184707 -0.045337 -0.193383
C 3.192006 2.046009 0.708629
C -2.761005 1.440508 0.868134
C 1.801528 2.050209 0.833201
C -2.630954 0.164397 0.039620
C -0.607900 -1.141249 -0.900732
C -4.974449 -0.523890 -0.261913
C -5.535335 0.823630 -0.798733
C -5.353562 -0.760106 1.227171
C -5.539331 -1.667785 -1.158708
C 1.827900 4.116849 2.097436
H 3.637504 -1.180586 -2.321415
H 5.918105 -0.045095 -1.888187
H 3.112314 -2.592240 0.104365
H 4.052186 -3.238170 -1.234876
H 5.946820 -3.199769 0.363248
H -1.055369 2.102501 2.120348
H -1.204376 2.993853 0.610654
H 3.834089 2.814411 1.122998
H -3.423410 2.174598 0.360032
H -3.250155 1.234294 1.835540
H 4.595261 -1.116224 1.765567
H -6.554420 0.689717 -1.212491
H -4.881572 1.247958 -1.584103
H -5.371662 0.190683 1.795416
H -4.658889 -1.465161 1.714906
H -5.316021 -2.661684 -0.736709
H -5.135067 -1.616175 -2.188991
H 2.362842 4.682212 1.327978
H 2.501042 3.739865 2.873667
H 1.012390 4.710297 2.531801
H -6.366599 1.758385 0.756316
H -6.702917 -2.230601 1.343666
H -7.406122 -1.414859 -0.469103


%chk=000188773-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188773

0 1
O 6.058306 -1.337728 -0.023539
O 5.188863 0.929870 -0.292958
O 0.976439 -1.075012 -0.948589
O 4.473416 -1.881271 1.769749
O 1.160478 3.178878 1.420558
O -0.987816 -2.202005 -1.404923
O -5.844001 1.671716 0.542407
O -6.804883 -0.932394 1.231336
O -6.995007 -1.551441 -1.465677
N -3.475394 -0.700886 -0.498843
C 3.990449 -1.016680 -1.260955
C 5.414744 -0.436629 -0.936414
C 3.075579 -0.030097 -0.559537
C 4.031300 -2.441565 -0.637025
C 5.043573 -2.306946 0.520182
C 3.823804 1.046426 -0.044367
C 1.680501 -0.008212 -0.411172
C 1.019673 1.069763 0.276128
C -0.414076 0.981597 0.389937
C -1.356151 1.965922 1.063146
C -1.136992 -0.083472 -0.162114
C 3.247533 2.141602 0.630397
C -2.742964 1.275278 1.037283
C 1.844357 2.143470 0.781579
C -2.595424 0.079051 0.070312
C -0.518398 -1.190032 -0.874476
C -4.952334 -0.559097 -0.344898
C -5.531846 0.868933 -0.651132
C -5.320547 -1.017055 1.087873
C -5.533327 -1.562921 -1.393528
C 1.944736 4.306360 1.944512
H 3.789309 -1.058687 -2.344065
H 6.101399 -0.234289 -1.769308
H 3.041268 -2.780487 -0.296059
H 4.413828 -3.163413 -1.378687
H 5.623605 -3.206123 0.763872
H -1.013290 2.219659 2.079629
H -1.357019 2.920774 0.504343
H 3.883865 2.943231 1.007091
H -3.572245 1.945920 0.766624
H -2.986458 0.882963 2.044320
H 3.806383 -1.161272 1.617386
H -6.441998 0.741522 -1.267034
H -4.792960 1.455262 -1.221095
H -4.850268 -0.356551 1.838060
H -4.982926 -2.061039 1.232893
H -5.137272 -2.572930 -1.159642
H -5.172068 -1.282566 -2.397007
H 2.487331 4.822400 1.130664
H 2.657574 3.967327 2.719176
H 1.202811 4.984925 2.388932
H -6.593374 1.208028 1.002834
H -7.082098 -1.333967 2.091753
H -7.336791 -1.549514 -0.529131


