%chk=000220171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220171

0 1
O 1.882046 0.261267 -0.000085
O 0.329209 1.944869 -0.001073
O -6.485364 1.018223 -0.000231
O -6.706471 -1.204884 0.000785
N -0.270020 -0.342405 0.000268
C 4.209360 0.454332 -0.000197
C 2.955131 1.275793 -0.000652
C -1.690811 -0.262899 0.000235
C -2.403771 -1.484484 0.000870
C -2.373675 0.967989 -0.000379
C -4.482332 -0.232713 0.000282
C 4.796178 0.069642 1.214628
C 4.796451 0.068708 -1.214594
C -3.793385 -1.460056 0.000888
C -3.764716 0.976230 -0.000350
C 5.972251 -0.685234 1.211881
C 5.972524 -0.686162 -1.211002
C 0.596984 0.764735 -0.000416
C 6.561902 -1.061821 0.000650
C -5.951787 -0.256971 0.000336
H 2.826241 1.901759 0.900933
H 2.826233 1.900764 -0.902925
H -1.880012 -2.437971 0.001343
H -1.818434 1.913610 -0.000877
H 4.334569 0.354080 2.159479
H 4.335058 0.352420 -2.159769
H -4.363353 -2.395446 0.001380
H -4.310458 1.926214 -0.000814
H 0.160564 -1.275035 0.000816
H 6.428723 -0.981971 2.155188
H 6.429211 -0.983621 -2.153978
H 7.479081 -1.649220 0.000978
H -7.479926 1.005456 -0.000202


%chk=000220171-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220171

0 1
O 1.863269 0.187117 -0.000475
O 0.336036 1.983695 -0.001434
O -6.649224 1.031117 0.000046
O -6.777252 -1.288391 0.001423
N -0.339829 -0.295898 -0.000311
C 4.281711 0.413315 -0.000120
C 2.986901 1.186215 -0.000629
C -1.751779 -0.215599 -0.000074
C -2.475490 -1.442756 0.000789
C -2.456535 1.020226 -0.000679
C -4.587741 -0.206658 0.000434
C 4.899081 0.045703 1.222027
C 4.899655 0.045080 -1.221788
C -3.877270 -1.436578 0.001034
C -3.862578 1.012843 -0.000418
C 6.110551 -0.680609 1.224542
C 6.111127 -0.681234 -1.223368
C 0.575320 0.751608 -0.001139
C 6.718967 -1.045541 0.000823
C -6.067518 -0.250885 0.000719
H 2.872634 1.821638 0.895271
H 2.872954 1.820983 -0.897033
H -1.932810 -2.396126 0.001257
H -1.899167 1.958688 -0.001351
H 4.428897 0.329108 2.171512
H 4.429917 0.328000 -2.171638
H -4.444599 -2.372763 0.001692
H -4.413299 1.957567 -0.000882
H 0.081198 -1.228198 0.000180
H 6.580348 -0.957839 2.174579
H 6.581368 -0.958948 -2.173043
H 7.660524 -1.606045 0.001188
H -7.638165 0.926366 0.000263


