%chk=000231957.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231957

0 1
O 5.288914 1.783231 1.187357
O -4.462272 3.092363 1.028533
O 1.133623 1.055636 -1.426832
O -1.205631 -3.496782 0.628182
N 3.466219 0.086567 -0.207761
N -2.786190 1.361947 -0.514498
C 2.862823 -1.230404 -0.604879
C -1.601160 1.063334 -1.387816
C 4.912956 0.151115 -0.600636
C 3.321526 0.327739 1.266254
C -2.343391 1.876380 0.824233
C -3.669163 2.379052 -1.178525
C 1.359582 -1.195559 -0.476536
C -0.824881 -0.117334 -0.861511
C 0.589268 -0.097005 -0.911679
C 5.458490 1.538201 -0.222265
C 3.907359 1.708258 1.596771
C -3.586604 2.150027 1.683002
C -4.884007 2.635732 -0.272565
C 0.701272 -2.315442 0.040041
C -1.470496 -1.248073 -0.358194
C -0.702632 -2.329712 0.094085
C -2.659786 -3.635511 0.718252
C -2.836163 -5.008227 1.337890
H 3.284255 -2.086101 -0.030795
H 3.114566 -1.419596 -1.676892
H -0.920358 1.940080 -1.516330
H -1.975414 0.805681 -2.406981
H 5.525724 -0.638319 -0.113852
H 4.991014 0.000806 -1.698304
H 3.821407 -0.453043 1.878943
H 2.238804 0.298876 1.521397
H -1.713954 1.095440 1.304042
H -1.723573 2.795733 0.750259
H -3.147065 3.337839 -1.386712
H -4.007564 1.967453 -2.152787
H 4.962042 2.344200 -0.790930
H 6.554278 1.601944 -0.344572
H 3.973546 1.884333 2.684997
H 3.343059 2.523683 1.110920
H -4.151547 1.225194 1.893393
H -3.338934 2.672148 2.623314
H -5.501365 3.477662 -0.630708
H -5.501761 1.728640 -0.150916
H 1.250391 -3.184062 0.396967
H -2.559303 -1.254255 -0.318346
H 2.130993 1.108339 -1.235082
H -3.049820 -2.823864 1.356005
H -3.080639 -3.567495 -0.299543
H -2.348446 -5.066600 2.320924
H -2.375730 -5.787616 0.714614
H -3.895563 -5.255436 1.466671


%chk=000231957-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231957

0 1
O 5.545053 1.853022 0.967687
O -4.851418 2.837937 0.943753
O 1.415228 1.083619 -1.204997
O -1.287918 -3.494677 0.674628
N 3.588886 0.060357 -0.216546
N -2.747087 1.400999 -0.455868
C 2.948092 -1.264521 -0.527594
C -1.450533 1.217138 -1.156302
C 4.973988 0.165701 -0.762971
C 3.578793 0.366391 1.248556
C -2.569676 1.853318 0.948168
C -3.660947 2.321075 -1.177596
C 1.437471 -1.216652 -0.345970
C -0.694608 -0.018419 -0.685082
C 0.721042 -0.044289 -0.746399
C 5.544679 1.564574 -0.474649
C 4.170444 1.763065 1.491156
C -3.933439 1.927743 1.651506
C -5.014047 2.389470 -0.449787
C 0.729518 -2.335520 0.131735
C -1.390178 -1.161001 -0.220761
C -0.684175 -2.314214 0.190612
C -2.759172 -3.524182 0.730976
C -3.155959 -4.901693 1.256086
H 3.393055 -2.079401 0.084548
H 3.186528 -1.479254 -1.589492
H -0.781888 2.104117 -1.059045
H -1.670929 1.115080 -2.238639
H 5.633468 -0.606912 -0.306083
H 4.938301 -0.007613 -1.854779
H 4.174454 -0.394140 1.801907
H 2.535461 0.322225 1.609195
H -1.916061 1.134235 1.475522
H -2.078652 2.858511 0.987771
H -3.235743 3.354089 -1.251029
H -3.815454 1.942615 -2.206482
H 4.947463 2.332898 -1.012594
H 6.598064 1.631864 -0.791416
H 4.249730 1.975476 2.569292
H 3.530825 2.533437 1.008521
H -4.380925 0.910786 1.701106
H -3.837906 2.340987 2.669284
H -5.683081 3.129054 -0.920442
H -5.494265 1.386653 -0.465581
H 1.255936 -3.241862 0.451537
H -2.481930 -1.093247 -0.183562
H 2.417900 0.921624 -0.924613
H -3.122376 -2.717712 1.402309
H -3.173836 -3.345185 -0.283127
H -2.732747 -5.072271 2.260931
H -2.784292 -5.695064 0.585058
H -4.256438 -4.983035 1.320160


