%chk=000217741.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217741

0 1
O 3.192666 0.683428 1.144766
O 4.694725 -1.414311 0.594757
O -1.101768 2.143305 -0.471769
N 1.220266 -2.588008 0.064757
N -2.871814 -0.745558 0.758261
C 3.346638 -1.709246 0.964473
C 2.543756 -2.017121 -0.316397
C 0.395212 -3.039078 -1.113679
C 2.757415 -0.546784 1.783182
C 0.935900 1.351018 0.300169
C 2.322540 1.497397 0.470187
C 0.261331 2.403132 -0.394305
C 0.114955 -1.872047 -2.066266
C -0.915927 -3.604394 -0.549391
C -0.091035 0.391029 0.642879
C -1.280352 0.880638 0.184930
C 2.978076 2.624034 -0.064756
C -2.672531 0.410921 0.214436
C 0.878327 3.533071 -0.927697
C 2.260044 3.614763 -0.747702
C -4.213307 -1.363828 0.881982
C -3.698017 1.337526 -0.373576
C -4.710078 -1.864178 -0.483541
C -4.078669 -2.522746 1.879219
H 3.458828 -2.616851 1.604304
H 2.370253 -1.077171 -0.888221
H 3.153177 -2.676622 -0.972278
H 0.926499 -3.845577 -1.687234
H 3.233196 -0.462241 2.779230
H 1.660034 -0.616248 1.885905
H 1.362203 -3.391024 0.690676
H -0.598714 -2.161475 -2.843974
H -0.318181 -1.017742 -1.526109
H 1.021918 -1.516982 -2.564599
H -0.753035 -4.475914 0.089863
H -1.597160 -3.900099 -1.352056
H -1.436157 -2.843095 0.058904
H 0.072807 -0.562023 1.135909
H 4.052561 2.720985 0.074705
H 0.312396 4.297512 -1.446604
H 4.762327 -0.487331 0.256458
H 2.800956 4.475622 -1.145818
H -4.953581 -0.622950 1.290214
H -4.240254 1.871179 0.420110
H -3.249338 2.107406 -1.021648
H -4.437199 0.795361 -0.981041
H -5.659369 -2.400566 -0.385334
H -4.861587 -1.037165 -1.187502
H -3.988704 -2.554235 -0.939854
H -5.039116 -3.017914 2.045773
H -3.702378 -2.167902 2.846853
H -3.363435 -3.275301 1.523646


%chk=000217741-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217741

0 1
O 3.086206 0.507014 0.097088
O 4.916423 -1.587621 0.355089
O -1.253689 2.575998 0.108848
N 1.314149 -2.714769 0.066170
N -2.907610 -0.666675 0.421012
C 3.516709 -1.767070 0.768678
C 2.701306 -2.419512 -0.370821
C 0.472910 -3.457832 -0.924126
C 2.923561 -0.434032 1.238405
C 0.843991 1.593184 0.134560
C 2.267937 1.653559 0.069268
C 0.127892 2.826240 0.043390
C 0.189956 -2.594843 -2.172228
C -0.841134 -3.865596 -0.227917
C -0.149990 0.543237 0.242761
C -1.397531 1.154638 0.229479
C 2.892415 2.904173 -0.107306
C -2.774403 0.637152 0.308614
C 0.719306 4.086705 -0.124165
C 2.129249 4.100826 -0.207229
C -4.254695 -1.286181 0.504002
C -3.913002 1.659467 0.254130
C -4.539443 -2.009857 -0.836404
C -4.256758 -2.276510 1.690182
H 3.568684 -2.452352 1.637233
H 2.665575 -1.712954 -1.219417
H 3.259621 -3.324726 -0.707606
H 1.003738 -4.384943 -1.261270
H 3.496491 -0.031128 2.094949
H 1.861288 -0.554650 1.506100
H 1.326745 -3.242797 0.954446
H -0.453969 -3.152886 -2.876377
H -0.330753 -1.664544 -1.883864
H 1.116374 -2.325160 -2.709988
H -0.645491 -4.497158 0.661444
H -1.479453 -4.448151 -0.917161
H -1.391835 -2.962499 0.093265
H 0.025596 -0.533426 0.293634
H 3.984816 2.936462 -0.161866
H 0.120806 4.998286 -0.193788
H 4.938879 -0.794397 -0.242249
H 2.651489 5.053732 -0.342302
H -5.061085 -0.538502 0.671711
H -4.487210 1.658504 1.199253
H -3.521530 2.673458 0.091697
H -4.616855 1.419461 -0.562980
H -5.505324 -2.545251 -0.785440
H -4.579503 -1.293429 -1.676781
H -3.739399 -2.741056 -1.047614
H -5.237986 -2.779844 1.771230
H -4.051125 -1.753704 2.641106
H -3.475042 -3.043442 1.546350


