%chk=000231907.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231907

0 1
O 0.495510 0.899117 -0.899106
O -3.650815 -2.839387 2.333201
O -2.439238 -1.109839 -2.949043
N -1.852780 -0.554011 -0.039872
C -2.960656 -1.342483 0.554854
C -1.009412 -1.344731 -0.982444
C -1.262054 0.470218 0.741113
C -0.113556 1.202534 0.333288
C -2.504644 -2.348098 1.631596
C -1.158766 -0.767630 -2.402623
C -1.890336 0.921466 1.929964
C 0.369850 2.305441 1.043486
C -1.407653 2.016456 2.641811
C -0.276431 2.716028 2.207675
C 1.840030 0.538045 -0.897475
C 2.555028 0.140789 0.236942
C 2.409535 0.551362 -2.183213
C 3.886820 -0.252450 0.070264
C 3.737453 0.151215 -2.317255
C 4.477732 -0.250364 -1.196256
H -3.489167 -1.869645 -0.271744
H -3.715878 -0.648475 0.997067
H -1.330158 -2.410064 -0.994508
H 0.061092 -1.344929 -0.682339
H -1.911314 -1.863939 2.432571
H -1.929396 -3.189121 1.210928
H -0.448299 -1.242060 -3.104149
H -1.027002 0.331711 -2.417595
H -2.780828 0.412379 2.301793
H 1.247372 2.835074 0.670792
H -1.921190 2.330538 3.551257
H 0.091643 3.572231 2.767202
H -4.186061 -3.420903 1.756859
H -3.140838 -0.614793 -2.476208
H 2.093331 0.139368 1.220811
H 1.818228 0.874354 -3.036080
H 4.465608 -0.564342 0.939906
H 4.204193 0.153385 -3.302590
H 5.513748 -0.558543 -1.314281


%chk=000231907-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231907

0 1
O 0.536952 0.978486 -0.885041
O -4.086749 -2.888024 2.085490
O -2.622828 -1.156519 -2.702038
N -1.704144 -0.662155 0.092006
C -2.966556 -1.302584 0.523165
C -0.921928 -1.452199 -0.893340
C -1.203049 0.449896 0.800858
C -0.073578 1.232741 0.385133
C -2.791549 -2.330141 1.672924
C -1.191243 -1.055818 -2.360940
C -1.848168 0.898121 2.002607
C 0.374596 2.351634 1.115760
C -1.398269 2.015012 2.730049
C -0.272194 2.753607 2.301167
C 1.905879 0.619271 -0.956000
C 2.661660 0.190909 0.161205
C 2.477364 0.660597 -2.249419
C 4.007621 -0.197032 -0.032124
C 3.820818 0.267596 -2.423674
C 4.593880 -0.162298 -1.317899
H -3.392821 -1.821441 -0.356627
H -3.703572 -0.539668 0.831556
H -1.213080 -2.512836 -0.766157
H 0.158411 -1.389808 -0.682889
H -2.393622 -1.849358 2.580157
H -2.084855 -3.130261 1.365796
H -0.686734 -1.770548 -3.034008
H -0.808427 -0.037382 -2.552486
H -2.716484 0.355318 2.382745
H 1.229859 2.912305 0.722851
H -1.932458 2.303549 3.642069
H 0.082527 3.624287 2.860550
H -4.465515 -3.422485 1.342288
H -3.088250 -0.382557 -2.294693
H 2.212268 0.167186 1.158568
H 1.866220 1.001292 -3.091079
H 4.596394 -0.528998 0.830398
H 4.265225 0.300260 -3.424610
H 5.637102 -0.464053 -1.457715


