%chk=000272702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272702

0 1
O 3.984765 2.865835 -0.197315
O 0.583433 1.539762 2.104978
O 3.274711 1.536710 -1.859182
O 4.625434 -3.315974 -1.085423
O 5.909619 -2.066548 0.257230
O -7.052158 -1.216514 -0.048568
N 1.374232 0.619977 0.177918
N -4.975222 -0.418353 -0.568078
C 2.771309 0.951409 0.499401
C 3.649753 -0.289253 0.734816
C 3.695758 -1.253936 -0.451150
C 0.331162 0.983284 1.051491
C 3.334133 1.763469 -0.673476
C -1.033219 0.612984 0.587285
C -3.653285 -0.063562 -0.183187
C -1.467335 0.852024 -0.723988
C -1.922768 0.055639 1.520252
C 4.867526 -2.182142 -0.340988
C -2.761301 0.517739 -1.113244
C -3.216098 -0.289745 1.143928
C -5.395984 -0.243080 -1.982157
C -5.941247 -0.930487 0.344793
H 2.788357 1.594539 1.438114
H 4.682536 0.040589 0.997753
H 3.278878 -0.820440 1.638720
H 2.753223 -1.839570 -0.531932
H 3.771052 -0.702654 -1.423078
H 1.209687 0.088316 -0.672444
H -0.794727 1.316762 -1.449199
H -1.592176 -0.102168 2.551763
H -3.072087 0.719908 -2.136377
H -3.882490 -0.728082 1.885956
H 4.382956 3.430107 -0.917461
H -4.758376 -0.832462 -2.660761
H -6.440707 -0.599141 -2.109204
H -5.369768 0.819151 -2.275467
H 5.384274 -3.959218 -1.066290
H -5.595452 -1.035076 1.385671


%chk=000272702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272702

0 1
O 4.656600 2.555868 -0.113670
O 0.803364 0.223919 2.267972
O 2.838443 2.483543 -1.556093
O 4.546889 -2.966386 -1.542832
O 5.088886 -2.588245 0.683477
O -7.300522 -0.329039 0.016934
N 1.394157 0.934643 0.145835
N -5.023084 -0.390622 -0.566771
C 2.779202 1.196742 0.554197
C 3.630142 -0.098969 0.729104
C 3.718460 -0.935093 -0.558463
C 0.466411 0.464842 1.061921
C 3.386646 2.133406 -0.483946
C -0.940517 0.257876 0.574160
C -3.664852 -0.176898 -0.177924
C -1.341237 0.342173 -0.783921
C -1.921223 -0.072746 1.544281
C 4.514678 -2.209854 -0.359658
C -2.682109 0.131705 -1.157131
C -3.259127 -0.297708 1.182640
C -5.344225 -0.835236 -1.940178
C -6.090561 -0.125205 0.301802
H 2.776908 1.707665 1.537442
H 4.638394 0.188065 1.073869
H 3.162121 -0.686197 1.536630
H 2.710361 -1.214230 -0.919574
H 4.192242 -0.374108 -1.388413
H 1.125455 1.268804 -0.783801
H -0.619496 0.561057 -1.579462
H -1.595317 -0.172761 2.584664
H -2.963610 0.216515 -2.210497
H -3.972767 -0.608984 1.951094
H 5.029953 3.161855 -0.809734
H -4.691500 -1.675293 -2.230167
H -6.396863 -1.158285 -1.943739
H -5.230903 -0.012258 -2.669898
H 5.076024 -3.795305 -1.385672
H -5.769027 0.314543 1.266624


