%chk=000243878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243878

0 1
O 0.746508 0.646697 -1.560793
O -0.742961 0.139063 1.575973
N 3.037291 0.402085 0.037086
N -3.033760 0.383845 -0.021834
N 1.755114 0.315811 0.527455
N -1.751594 0.470164 -0.512215
C 7.857550 0.310364 0.510029
C -7.854047 0.474838 -0.494907
C 8.182456 -0.215520 -0.751480
C -8.179239 1.001338 0.766273
C 8.858959 0.926151 1.282460
C -8.855195 -0.141722 -1.267065
C 9.490420 -0.120841 -1.234299
C -9.487210 0.906497 1.249042
C 10.162220 1.022204 0.791115
C -10.158464 -0.237931 -0.775771
C 6.490601 0.218325 1.046102
C -6.487093 0.567017 -1.030936
C 10.481083 0.498852 -0.466845
C -10.477603 0.286031 0.481865
C 5.389678 0.368500 0.293742
C -5.386153 0.417951 -0.278375
C 4.038910 0.268581 0.865153
C -4.035393 0.517894 -0.849797
C 0.687671 0.455916 -0.369639
C -0.684123 0.329902 0.384820
H 7.416539 -0.704610 -1.351874
H -7.413542 1.491039 1.366450
H 8.616994 1.336187 2.261255
H -8.613019 -0.552235 -2.245608
H 9.736991 -0.531422 -2.212532
H -9.733997 1.317556 2.227019
H 10.933091 1.505502 1.389570
H -10.929125 -0.721827 -1.374013
H 6.431013 0.024437 2.120886
H -6.427494 0.759950 -2.105893
H 11.498385 0.573549 -0.846177
H -11.494910 0.211205 0.861160
H 5.440326 0.578828 -0.780957
H -5.436778 0.208459 0.796489
H 3.973234 0.088167 1.948473
H -3.969732 0.698781 -1.933040
H 1.556529 0.153056 1.530893
H -1.553031 0.632868 -1.515660


%chk=000243878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243878

0 1
O 0.517058 -0.016486 -1.669484
O -0.513563 0.799405 1.685305
N 3.029129 0.310956 -0.273915
N -3.025630 0.473121 0.289455
N 1.774865 0.452638 0.292581
N -1.771365 0.331136 -0.276966
C 7.918754 0.467895 0.415701
C -7.915246 0.318211 -0.400686
C 8.320752 0.139027 -0.913911
C -8.317252 0.646788 0.928996
C 8.936625 0.707066 1.385543
C -8.933111 0.079742 -1.370707
C 9.684367 0.055008 -1.252804
C -9.680868 0.731206 1.267782
C 10.302128 0.622943 1.045359
C -10.298616 0.164265 -1.030630
C 6.514389 0.570083 0.826984
C -6.510879 0.215629 -0.811863
C 10.683257 0.296173 -0.276768
C -10.679752 0.490740 0.291568
C 5.403774 0.379629 0.036472
C -5.400271 0.405431 -0.021184
C 4.056689 0.506074 0.542625
C -4.053184 0.278635 -0.527243
C 0.618928 0.279659 -0.443055
C -0.615431 0.503497 0.458819
H 7.564631 -0.051257 -1.683268
H -7.561134 0.836529 1.698492
H 8.645888 0.960918 2.412711
H -8.642367 -0.173880 -2.397930
H 9.974729 -0.198754 -2.278380
H -9.971236 0.984735 2.293415
H 11.067225 0.810932 1.806571
H -11.063708 -0.023185 -1.791979
H 6.349537 0.828357 1.884752
H -6.346019 -0.042383 -1.869693
H 11.743168 0.229602 -0.545482
H -11.739665 0.557618 0.560200
H 5.487580 0.121171 -1.025564
H -5.484085 0.663600 1.040921
H 3.925881 0.766490 1.613207
H -3.922370 0.018496 -1.597893
H 1.625168 0.694802 1.290758
H -1.621670 0.089239 -1.275208


