%chk=000245602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245602

0 1
O 2.741603 -0.419195 0.041567
O 1.553988 1.538116 0.033713
N 0.516858 -0.583767 0.055489
C -1.842469 -1.262808 0.036986
C -0.871908 -0.225803 0.034242
C 4.017193 0.341752 0.080513
C -3.604239 0.430065 -0.001471
C -3.195797 -0.913445 0.019165
C -1.277042 1.117816 0.013446
C -2.633973 1.440232 -0.004243
C -1.453837 -2.706846 0.058445
C 4.237926 0.816246 1.504951
C 5.017005 -0.697154 -0.396404
C 1.575902 0.324517 0.044523
C -5.060732 0.763631 -0.020424
H 3.909483 1.191937 -0.629841
H -3.950255 -1.698937 0.021167
H -0.530494 1.921160 0.010710
H -2.931682 2.487475 -0.020394
H 0.753161 -1.579196 0.064341
H -0.856969 -2.979465 -0.823642
H -0.876987 -2.958161 0.959981
H -2.329848 -3.371196 0.056488
H 5.225938 1.272489 1.630514
H 3.487189 1.570647 1.787172
H 4.155677 -0.006456 2.225902
H 6.032492 -0.286374 -0.425656
H 4.765976 -1.058027 -1.402660
H 5.028858 -1.577064 0.260805
H -5.574016 0.358662 0.863247
H -5.246937 1.845374 -0.032332
H -5.554365 0.342573 -0.907802


%chk=000245602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245602

0 1
O 2.735815 -0.463908 0.086709
O 1.583368 1.596208 0.000928
N 0.480673 -0.507330 0.067718
C -1.851328 -1.228099 0.053966
C -0.899883 -0.159973 0.033141
C 4.045971 0.274148 0.119013
C -3.692312 0.435410 -0.027213
C -3.224614 -0.903141 0.023388
C -1.342610 1.184717 -0.017512
C -2.724475 1.467096 -0.046936
C -1.401498 -2.679245 0.108152
C 4.337352 0.718803 1.559630
C 5.074722 -0.706300 -0.449623
C 1.576329 0.339144 0.049700
C -5.180084 0.740483 -0.059654
H 3.932163 1.160931 -0.532126
H -3.954932 -1.722972 0.039707
H -0.605817 1.990421 -0.033462
H -3.050665 2.513375 -0.086134
H 0.717693 -1.500198 0.106755
H -0.782200 -2.958403 -0.768267
H -0.811244 -2.900578 1.020408
H -2.271879 -3.355582 0.115858
H 5.310167 1.242293 1.602883
H 3.557487 1.411313 1.917508
H 4.382973 -0.155420 2.233355
H 6.069086 -0.225989 -0.487878
H 4.796948 -1.017717 -1.470852
H 5.147902 -1.607577 0.184368
H -5.695114 0.342344 0.835154
H -5.364816 1.827742 -0.096710
H -5.667480 0.286802 -0.943476


