%chk=000235978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235978

0 1
O -0.508604 2.402421 -0.117131
N 1.403211 -1.784559 -0.316189
N -4.099722 -0.479079 0.298555
C -2.177034 0.765119 -0.684620
C -2.848070 0.280881 0.622990
C 0.285838 0.199362 -0.279654
C -0.753920 1.232932 -0.340340
C 1.677031 0.464551 -0.002377
C 2.367160 -0.791771 -0.029564
C 0.156562 -1.179552 -0.465034
C -2.963370 1.902195 -1.334198
C 2.400827 1.643676 0.265468
C 3.753563 -0.885429 0.203611
C 1.681482 -3.218580 -0.439724
C -5.007442 -0.513248 1.484519
C -3.785921 -1.868629 -0.150077
C 3.761005 1.546234 0.493750
C 4.430537 0.293114 0.462813
H -2.125113 -0.081743 -1.411621
H -2.127011 -0.308988 1.228802
H -3.115937 1.171904 1.234861
H -0.733896 -1.745900 -0.686150
H -2.894820 2.825122 -0.741442
H -2.583954 2.133789 -2.334554
H -4.025157 1.635763 -1.422852
H 1.866186 2.597498 0.285072
H 4.260954 -1.843073 0.178905
H 2.103676 -3.616771 0.502474
H 0.766343 -3.788624 -0.671469
H 2.413768 -3.405400 -1.248331
H -4.587259 -0.992797 2.380019
H -5.934676 -1.041940 1.211050
H -5.294094 0.519474 1.743362
H -3.177522 -1.816746 -1.067303
H -4.726396 -2.376245 -0.419990
H -3.260151 -2.488792 0.589659
H 4.343903 2.441819 0.702823
H 5.503420 0.272913 0.649186


%chk=000235978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235978

0 1
O -0.740833 1.707406 0.917283
N 1.914830 -1.657964 -0.930729
N -4.564704 -0.156983 0.476328
C -2.132610 0.037425 -0.195661
C -3.226788 0.354533 0.856973
C 0.458075 -0.103697 -0.076281
C -0.778851 0.607286 0.271413
C 1.821018 0.321887 0.234110
C 2.707209 -0.667664 -0.310207
C 0.576728 -1.315022 -0.785588
C -2.495439 0.649046 -1.577524
C 2.368183 1.437320 0.917103
C 4.111044 -0.582529 -0.195560
C 2.440413 -2.845037 -1.609079
C -5.651826 0.535014 1.198540
C -4.681236 -1.623851 0.591992
C 3.770179 1.530887 1.036330
C 4.631430 0.535942 0.488566
H -2.042256 -1.060260 -0.309862
H -2.901083 -0.042288 1.853006
H -3.283158 1.452390 0.960319
H -0.201623 -1.952588 -1.201697
H -2.481125 1.752698 -1.518195
H -1.783419 0.336579 -2.362948
H -3.515123 0.331259 -1.855585
H 1.699634 2.194915 1.333200
H 4.775846 -1.345298 -0.614925
H 3.011954 -3.478196 -0.906119
H 1.605240 -3.437266 -2.014832
H 3.104288 -2.556151 -2.444035
H -5.631492 0.364392 2.305426
H -6.630667 0.187434 0.820277
H -5.582119 1.622398 1.020445
H -3.942131 -2.123232 -0.058872
H -5.686415 -1.942706 0.262244
H -4.525210 -1.994719 1.638320
H 4.211120 2.385932 1.560651
H 5.716315 0.641612 0.600467


