%chk=000240829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240829

0 1
O 3.568335 -3.049763 -0.007905
N 1.143431 1.640842 0.561567
N 1.435075 -1.175980 -0.244005
N -1.208413 1.412371 0.380330
N -0.955375 -1.333832 -0.281721
C 2.306760 1.593658 -0.391032
C 0.906383 3.068100 0.979146
C 2.705346 3.049781 -0.686221
C 2.098345 3.884546 0.452303
C 0.007406 0.859325 0.247399
C 0.125709 -0.587662 -0.082018
C 2.098812 -1.420151 1.084577
C 1.440553 -2.437168 -1.061215
C 3.543469 -1.869870 0.819556
C 2.903370 -2.853002 -1.273430
C -2.338129 0.624200 0.191385
C -2.214847 -0.748863 -0.170249
C -3.637019 1.200044 0.336369
C -3.386133 -1.532631 -0.392995
C -4.747957 0.420414 0.117846
C -4.623452 -0.950662 -0.248881
H 2.074977 1.032354 -1.317983
H 3.126236 1.047783 0.124412
H 0.841999 3.078172 2.086288
H -0.054370 3.473577 0.591539
H 2.308016 3.375412 -1.664313
H 3.799976 3.165991 -0.738530
H 2.841656 4.054830 1.251405
H 1.779889 4.880207 0.102243
H 1.562599 -2.193736 1.677971
H 2.086722 -0.481242 1.681345
H 0.944880 -2.234531 -2.034724
H 0.869537 -3.261137 -0.576762
H 4.140262 -1.078335 0.333544
H 4.044309 -2.216299 1.741400
H 2.986218 -3.850740 -1.740253
H 3.465504 -2.106844 -1.861388
H -3.712388 2.250668 0.616936
H -3.267811 -2.580387 -0.670690
H -5.747442 0.842410 0.222760
H -5.530335 -1.531251 -0.412805


%chk=000240829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240829

0 1
O 3.651918 -3.026593 0.140362
N 1.105882 1.658831 0.397760
N 1.373644 -1.256930 -0.176235
N -1.208655 1.329346 0.587459
N -0.965341 -1.290177 -0.516493
C 2.280110 1.616576 -0.531131
C 0.889877 3.042581 0.918486
C 2.645011 3.107372 -0.734548
C 2.219580 3.759158 0.604171
C 0.003383 0.812359 0.287234
C 0.122970 -0.596612 -0.143786
C 2.202538 -1.233823 1.065167
C 1.391977 -2.598126 -0.818745
C 3.636660 -1.688777 0.749495
C 2.845056 -3.012532 -1.093464
C -2.339139 0.573201 0.303361
C -2.218342 -0.706528 -0.356966
C -3.636924 1.090336 0.591343
C -3.391356 -1.408624 -0.758638
C -4.778628 0.376967 0.200698
C -4.656910 -0.871910 -0.483688
H 2.019146 1.101426 -1.470230
H 3.129646 1.072798 -0.075789
H 0.637069 3.010865 1.992046
H 0.032652 3.512173 0.397582
H 2.055274 3.535854 -1.566044
H 3.715321 3.242567 -0.965759
H 2.970910 3.551585 1.389061
H 2.090785 4.851923 0.531688
H 1.762170 -1.928351 1.815456
H 2.199922 -0.219268 1.497801
H 0.815334 -2.551454 -1.757089
H 0.893979 -3.348205 -0.167917
H 4.124294 -0.961980 0.062850
H 4.230621 -1.776871 1.674072
H 2.889222 -4.042167 -1.484631
H 3.304713 -2.316397 -1.829071
H -3.707469 2.057609 1.099217
H -3.270629 -2.374195 -1.260529
H -5.774570 0.780702 0.414868
H -5.559597 -1.414108 -0.786221


