%chk=000263931.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263931

0 1
O 0.588167 1.942261 -0.245607
O 2.487933 -2.074901 -1.559784
O -0.598299 -1.464265 0.555334
O -5.075253 -1.502468 -1.361277
O -4.834454 -3.061140 0.233569
O -2.126675 1.591786 -0.205218
O -2.611643 1.805102 1.977509
N 1.253185 -0.143044 -1.087776
N -2.336742 -1.028588 -0.870476
C -0.028855 -0.585718 -1.646950
C 2.829912 1.018020 0.170993
C 3.417190 -0.220093 -0.219708
C -3.329377 -1.100218 0.220493
C 1.425986 1.080235 -0.351565
C 2.421995 -1.006437 -1.019567
C -0.963772 -1.052902 -0.524730
C -3.918583 0.277146 0.580687
C 3.530312 1.935221 0.923461
C 4.706584 -0.543705 0.141010
C -4.459398 -2.025096 -0.247152
C 4.856481 1.604729 1.295431
C 5.429070 0.397716 0.914641
C -2.849988 1.282400 0.919466
H -0.480427 0.252287 -2.231304
H 0.149418 -1.435913 -2.356180
H -2.846610 -1.571710 1.134342
H -2.646290 -0.480526 -1.678433
H -4.611188 0.181869 1.448210
H -4.538411 0.666879 -0.262167
H 3.083156 2.882782 1.228791
H 5.160226 -1.491849 -0.152368
H 5.428224 2.316379 1.894347
H 6.451648 0.159212 1.213840
H -5.797480 -2.091797 -1.713613
H -1.331046 2.192247 -0.022251


%chk=000263931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263931

0 1
O 0.550223 1.948524 -0.041789
O 2.481823 -2.037750 -1.649636
O -0.637496 -1.173029 0.753719
O -4.721237 -1.942002 -1.683927
O -5.467054 -2.461451 0.459401
O -2.116770 1.702266 -0.155619
O -2.505844 1.552136 2.142686
N 1.214376 -0.125659 -1.019466
N -2.353098 -1.075544 -0.822070
C -0.058783 -0.573690 -1.567910
C 2.829964 1.010461 0.204432
C 3.423633 -0.185453 -0.269173
C -3.420968 -1.107373 0.179427
C 1.410578 1.051334 -0.258344
C 2.399123 -0.941079 -1.051368
C -1.031665 -0.976625 -0.430837
C -3.949718 0.337476 0.549745
C 3.549839 1.929433 0.981132
C 4.759036 -0.502977 0.017315
C -4.622196 -1.925430 -0.282469
C 4.902841 1.617180 1.277152
C 5.497792 0.420677 0.802949
C -2.803160 1.253956 0.966732
H -0.510192 0.228496 -2.178757
H 0.157042 -1.445400 -2.213279
H -3.010723 -1.569674 1.093176
H -2.624141 -0.837476 -1.778675
H -4.659723 0.245505 1.387056
H -4.460739 0.771005 -0.327896
H 3.078601 2.847042 1.346052
H 5.206969 -1.431666 -0.349251
H 5.497102 2.308247 1.884114
H 6.542568 0.206044 1.051156
H -5.533894 -2.446757 -1.957308
H -1.179114 2.035154 0.037529


