%chk=000227492.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227492

0 1
O -4.582059 1.419612 0.734610
N 2.479814 1.578683 0.053692
N 0.037503 1.333621 -0.377827
N -2.170979 0.746369 -0.922377
N -0.709187 -1.028980 -0.247781
N 3.530065 0.736836 0.351746
N 0.780731 -2.795687 0.268470
C 1.635116 -0.520607 0.132244
C 1.292735 0.864279 -0.090505
C 0.562804 -1.456452 0.044320
C -0.909618 0.333556 -0.474145
C 3.044750 -0.522689 0.401015
C -3.351357 -0.121260 -0.713193
C 2.674406 3.029779 -0.061381
C -4.013786 0.106864 0.654786
C -0.301406 -3.793040 0.157079
H 3.668316 -1.374153 0.615255
H -3.063310 -1.195714 -0.823912
H -4.066608 0.100684 -1.538115
H -2.366364 1.750953 -0.819139
H 2.992251 3.458805 0.906804
H 3.452395 3.259285 -0.812672
H 1.725015 3.509808 -0.369816
H 1.715455 -3.129800 0.460969
H -3.275040 0.109992 1.481940
H -4.791244 -0.648386 0.861948
H -0.686562 -3.845598 -0.878925
H -1.156546 -3.515619 0.803374
H 0.063572 -4.786185 0.456904
H -5.324762 1.514444 0.106632


%chk=000227492-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227492

0 1
O -4.857703 1.722304 -0.044765
N 2.518810 1.564638 0.003101
N 0.079015 1.290110 -0.086133
N -2.171827 0.678225 -0.147606
N -0.612579 -1.081147 -0.040674
N 3.663358 0.746887 0.072403
N 0.909165 -2.864892 0.077372
C 1.755795 -0.557018 0.037799
C 1.354571 0.817639 -0.019999
C 0.679510 -1.508841 0.025411
C -0.853777 0.281603 -0.090993
C 3.187872 -0.529527 0.092226
C -3.315072 -0.226988 -0.214872
C 2.645973 3.016985 -0.037059
C -4.521117 0.393104 0.506272
C -0.171217 -3.855882 0.070041
H 3.904736 -1.348537 0.144799
H -3.026977 -1.185234 0.250957
H -3.588741 -0.451371 -1.271789
H -2.350066 1.683117 -0.204595
H 3.162128 3.383909 0.866432
H 3.217054 3.330510 -0.927700
H 1.629990 3.439991 -0.080973
H 1.875323 -3.181186 0.132828
H -4.278582 0.592359 1.562307
H -5.391912 -0.292731 0.453893
H -0.807794 -3.737457 -0.824764
H -0.821647 -3.745779 0.957101
H 0.270921 -4.866103 0.069757
H -5.199109 1.610713 -0.968777


