%chk=000201846.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201846

0 1
O 2.411739 0.188460 1.080231
O -4.088083 -0.266910 0.834032
O 1.229689 -1.174298 -2.000240
O 0.979161 1.909818 1.454185
N -1.531029 0.363059 -0.230742
N 0.839819 0.591517 -0.522855
C -0.488414 1.048048 -1.035397
C 2.622780 -0.867441 0.052145
C -2.181610 1.269042 0.766544
C -2.541855 -0.357119 -1.064347
C 1.496816 -0.587072 -0.986591
C -3.120287 0.429499 1.646674
C -3.468633 -1.147100 -0.124170
C 1.338728 1.004335 0.755219
C 2.419063 -2.191294 0.751163
C 3.997042 -0.634832 -0.531105
H -0.530541 0.772902 -2.118642
H -0.508234 2.161872 -0.946193
H -2.751206 2.094886 0.288926
H -1.382565 1.731583 1.394661
H -2.007449 -1.057896 -1.743504
H -3.146025 0.330457 -1.694908
H -2.564416 -0.305443 2.255121
H -3.759337 1.057871 2.291778
H -4.338151 -1.570429 -0.657027
H -2.922786 -1.941512 0.414820
H 1.418454 -2.270089 1.201499
H 2.543316 -3.037086 0.060615
H 3.139403 -2.318940 1.573353
H 4.776060 -0.738028 0.239548
H 4.222293 -1.351716 -1.333249
H 4.104357 0.378056 -0.945045


%chk=000201846-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201846

0 1
O 2.583389 0.202561 1.104219
O -4.188357 -0.359570 0.719658
O 1.056911 -1.258454 -1.841569
O 1.129108 1.991942 1.544789
N -1.625829 0.538710 -0.216018
N 0.827697 0.548684 -0.324003
C -0.454680 1.130773 -0.828082
C 2.658750 -0.891146 0.054715
C -2.417703 1.383791 0.705982
C -2.452514 -0.356185 -1.056623
C 1.436389 -0.597739 -0.844379
C -3.326084 0.486559 1.564420
C -3.358516 -1.209329 -0.152228
C 1.470790 1.022755 0.849658
C 2.519321 -2.244714 0.766209
C 3.979500 -0.732127 -0.711910
H -0.439005 0.966170 -1.921320
H -0.392081 2.213857 -0.618305
H -3.054371 2.111904 0.147859
H -1.729712 1.948984 1.360675
H -1.788903 -1.014872 -1.645968
H -3.093260 0.223519 -1.764278
H -2.699689 -0.155008 2.221013
H -4.015500 1.088354 2.178928
H -4.070367 -1.804922 -0.747006
H -2.731028 -1.883807 0.469823
H 1.587744 -2.289858 1.355427
H 2.501064 -3.053776 0.015727
H 3.373747 -2.400534 1.445837
H 4.830608 -0.897581 -0.030434
H 4.021838 -1.472592 -1.529416
H 4.068843 0.277848 -1.146900


