%chk=000229021.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229021

0 1
O -5.032570 -0.908962 0.467818
O 6.060716 -0.007908 -0.101619
C -2.576047 -0.497114 0.175226
C -1.843768 0.810061 -0.257284
C -0.395353 0.839359 0.248616
C 0.365607 -0.379063 -0.344114
C -4.048827 -0.176108 -0.283314
C 1.826237 -0.435881 0.222371
C -1.869309 -1.669413 -0.523313
C -0.383509 -1.712163 -0.126083
C -2.795217 1.937803 0.181358
C -4.208050 1.354122 -0.025689
C 0.302868 2.143732 -0.182528
C -2.565999 -0.719905 1.696654
C 2.483899 0.938063 0.113468
C 2.618272 -1.471673 -0.624002
C 1.790863 2.072855 -0.052638
C -4.382970 -0.572300 -1.717386
C 1.835774 -0.836518 1.709559
C 3.977743 0.988571 0.284315
C 4.121101 -1.469869 -0.339763
C 4.692731 -0.064999 -0.567984
H -1.805460 0.825904 -1.377772
H -0.378600 0.776370 1.361524
H 0.443353 -0.212903 -1.447694
H -1.957422 -1.579447 -1.621692
H -2.358846 -2.624796 -0.257791
H -0.302908 -2.014628 0.938640
H 0.118268 -2.511838 -0.703639
H -2.642639 2.852944 -0.411337
H -2.628579 2.219180 1.234248
H -4.851309 1.530122 0.850882
H -4.720270 1.843759 -0.869151
H -0.088255 2.987616 0.420785
H 0.048864 2.387781 -1.236083
H -1.544718 -0.865317 2.070897
H -2.983987 0.132263 2.240794
H -3.136157 -1.618542 1.961006
H 2.448881 -1.266465 -1.699460
H 2.212249 -2.484508 -0.439220
H 2.291484 3.039095 -0.112937
H -3.710225 -0.104684 -2.440929
H -4.335713 -1.662286 -1.840946
H -5.413179 -0.283505 -1.965496
H 2.858694 -0.926122 2.091852
H 1.321795 -0.086534 2.321705
H 1.337398 -1.798168 1.872908
H 4.388918 1.990067 0.044751
H 4.236892 0.827909 1.354735
H 4.320888 -1.785627 0.703816
H 4.631987 -2.209983 -0.980903
H 4.689634 0.208071 -1.645300
H -4.986101 -0.712157 1.420249
H 6.612872 -0.661459 -0.562809


%chk=000229021-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229021

0 1
O -5.145011 -1.003031 0.278195
O 6.176415 0.049507 -0.309316
C -2.634770 -0.501319 0.204923
C -1.870677 0.795926 -0.190632
C -0.404316 0.842348 0.287028
C 0.361895 -0.416249 -0.233705
C -4.084384 -0.177280 -0.345715
C 1.854225 -0.460533 0.276530
C -1.893159 -1.702047 -0.426021
C -0.411659 -1.741105 0.038252
C -2.827018 1.943923 0.226247
C -4.256870 1.355423 -0.009968
C 0.293762 2.128364 -0.214150
C -2.730748 -0.688764 1.745933
C 2.514503 0.926058 0.126149
C 2.649577 -1.481009 -0.611017
C 1.801044 2.061105 -0.107097
C -4.276689 -0.460343 -1.844937
C 1.934925 -0.894581 1.774379
C 4.032156 0.984300 0.267284
C 4.178261 -1.455976 -0.381817
C 4.738502 -0.044064 -0.632107
H -1.824120 0.799469 -1.303765
H -0.379333 0.851101 1.396714
H 0.417135 -0.294933 -1.341144
H -1.917659 -1.614152 -1.530299
H -2.394635 -2.655398 -0.166394
H -0.378352 -1.982025 1.116893
H 0.097605 -2.577148 -0.478672
H -2.655502 2.864478 -0.358870
H -2.673922 2.205415 1.291195
H -4.897039 1.475278 0.884986
H -4.779248 1.867814 -0.837154
H -0.080378 3.006204 0.350814
H 0.006937 2.314061 -1.273972
H -1.739056 -0.698886 2.226827
H -3.309499 0.118847 2.234066
H -3.216475 -1.654060 1.980176
H 2.444104 -1.250796 -1.677464
H 2.271615 -2.503928 -0.425564
H 2.346500 3.009628 -0.226247
H -3.536859 0.077606 -2.463208
H -4.195865 -1.541226 -2.049277
H -5.286653 -0.133297 -2.147307
H 2.947430 -0.740421 2.184965
H 1.238142 -0.301791 2.393857
H 1.687637 -1.964429 1.901218
H 4.402466 1.997800 0.031425
H 4.345864 0.764953 1.308647
H 4.427991 -1.756053 0.654180
H 4.666582 -2.188392 -1.057546
H 4.573718 0.224584 -1.700574
H -5.185819 -0.788180 1.244199
H 6.668726 -0.617974 -0.851845


