%chk=000235203.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235203

0 1
O -1.636932 -2.633975 1.398671
O -3.702976 0.609472 -1.588971
N -2.314254 -0.459550 1.632205
N -2.791800 1.784794 2.017513
N -3.309388 2.828962 -1.338078
N -0.064510 -3.098401 -1.754899
C -0.901938 0.128919 -0.813228
C -1.817139 1.220132 -0.189512
C -1.536276 -1.274188 -0.615258
C -2.338189 0.769467 1.176781
C 0.468273 0.196358 -0.191538
C -1.794256 -1.561407 0.885545
C -3.006887 1.485002 -1.112537
C 1.590093 0.225777 -0.919015
C -0.715710 -2.297696 -1.236673
C 2.939018 0.267098 -0.327579
C 3.246459 1.155046 0.715516
C 3.932743 -0.593025 -0.825930
C 4.536554 1.181803 1.252637
C 5.217336 -0.565558 -0.279268
C 5.522360 0.322594 0.758150
H -0.834909 0.318821 -1.916915
H -1.190611 2.140699 -0.054211
H -2.557524 -1.272841 -1.121014
H 0.491203 0.184365 0.900533
H 1.573144 0.198509 -2.013276
H -3.169495 2.628341 1.615997
H -3.218984 1.505252 2.898182
H -4.052679 3.054651 -1.989707
H -2.665755 3.576595 -1.145063
H 2.482282 1.823840 1.105179
H 3.696933 -1.292011 -1.628190
H 4.772437 1.871781 2.061305
H 5.983093 -1.239825 -0.661042
H 6.525186 0.342096 1.180891


%chk=000235203-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235203

0 1
O -1.595951 -2.333854 2.009123
O -3.859112 0.595567 -1.514041
N -2.420858 -0.159171 1.850169
N -3.123411 2.038352 1.708280
N -2.914416 2.679291 -1.910310
N -0.487970 -3.482545 -1.217495
C -0.949734 -0.010151 -0.660164
C -1.842179 1.205808 -0.230806
C -1.711104 -1.329683 -0.251032
C -2.470109 0.965071 1.156618
C 0.431461 0.077176 -0.044245
C -1.883364 -1.342063 1.298039
C -2.963191 1.453331 -1.266492
C 1.576781 0.140054 -0.780214
C -1.033184 -2.524812 -0.762491
C 2.961909 0.222150 -0.274545
C 3.292199 0.157223 1.110029
C 4.022229 0.368957 -1.212657
C 4.632391 0.245530 1.534442
C 5.364946 0.457664 -0.788583
C 5.676210 0.398660 0.588936
H -0.853735 -0.000202 -1.761699
H -1.194137 2.100843 -0.163771
H -2.725413 -1.269195 -0.700369
H 0.474705 0.073684 1.054545
H 1.481322 0.124684 -1.877508
H -3.229703 2.921608 1.213588
H -3.582863 1.904126 2.609744
H -3.614643 2.875461 -2.627514
H -2.143167 3.333186 -1.783794
H 2.502769 0.020514 1.857269
H 3.786779 0.408053 -2.283736
H 4.868516 0.186619 2.602778
H 6.165522 0.567139 -1.528432
H 6.717410 0.462823 0.923539


