%chk=000251478.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251478

0 1
O -2.503910 -2.454936 0.218982
O -3.599502 2.034582 0.295728
O 4.129248 -0.317419 1.272840
N 0.404233 -1.564123 -0.348972
N -1.392331 1.531430 -0.113863
N -3.055910 -0.216826 0.259972
N 0.925999 0.676948 -0.527640
N 2.740135 -0.988411 -0.981903
N 3.676809 0.065140 -0.936535
C -0.787032 -0.835150 -0.152137
C -0.430335 0.537292 -0.265390
C 1.404990 -0.626231 -0.578876
C -2.123416 -1.304308 0.115000
C -2.752127 1.173002 0.159966
C 0.508477 -3.023358 -0.336000
C -1.016942 2.961584 -0.224042
C -4.481761 -0.541142 0.543703
C 4.250068 0.436077 0.328601
C 5.053670 1.694090 0.300551
H 1.159516 -3.368423 0.488014
H -0.498994 -3.478113 -0.177974
H 0.901491 -3.403852 -1.296748
H -0.276780 3.223406 0.552603
H -1.912353 3.600493 -0.094652
H -0.573445 3.164212 -1.214940
H -5.133059 -0.139880 -0.251940
H -4.793504 -0.096011 1.504421
H -4.614791 -1.638462 0.597015
H 3.100864 -1.795384 -0.425451
H 3.458167 0.799240 -1.627192
H 5.748721 1.742537 -0.550366
H 4.409721 2.586226 0.258743
H 5.659980 1.780871 1.219084


%chk=000251478-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251478

0 1
O -2.612321 -2.533571 0.137366
O -3.930811 1.991823 -0.146185
O 5.249830 -0.981445 -0.047247
N 0.319577 -1.453499 0.043239
N -1.627189 1.538841 -0.137230
N -3.248033 -0.246872 -0.006373
N 0.735133 0.809186 -0.110363
N 2.619679 -0.662994 -0.031019
N 3.464078 0.455547 -0.117252
C -0.934971 -0.789909 0.012153
C -0.632895 0.577129 -0.081731
C 1.270072 -0.451528 -0.032213
C -2.268421 -1.308487 0.055616
C -2.991446 1.145824 -0.099039
C 0.551375 -2.901513 0.143604
C -1.286151 2.970063 -0.235869
C -4.678124 -0.629280 0.028637
C 4.823472 0.219895 -0.121039
C 5.709459 1.445169 -0.215806
H 1.111921 -3.146583 1.064480
H -0.432130 -3.395698 0.179655
H 1.108564 -3.271755 -0.736576
H -0.695873 3.282062 0.642389
H -2.230519 3.532178 -0.275322
H -0.694086 3.156985 -1.147668
H -5.187779 -0.272329 -0.881191
H -5.171644 -0.172882 0.902372
H -4.719999 -1.726574 0.090829
H 3.131286 -1.549461 0.021756
H 2.970127 1.352017 -0.170374
H 5.138591 2.388283 -0.261873
H 6.381654 1.476846 0.658743
H 6.343474 1.367631 -1.115868


