%chk=000281019.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281019

0 1
O -2.037161 -2.657639 -0.380535
O -2.449520 -0.963473 1.222881
O 2.866908 1.251463 -1.225883
O 4.529601 0.581533 0.164456
N 4.626360 -1.465946 -2.007322
C 2.907359 -2.004312 -0.199369
C 1.495065 -1.695236 0.214296
C -0.836072 -2.093564 0.026031
C 3.389775 -1.043447 -1.311074
C -3.104169 -1.894514 0.291044
C -1.083046 -1.072401 0.990852
C 0.434051 -2.426563 -0.383690
C 1.248305 -0.697955 1.159899
C -0.060469 -0.357430 1.571304
C -3.909670 -1.132517 -0.722810
C 3.706234 0.317875 -0.679895
C -4.515203 0.078583 -0.362174
C -4.073926 -1.649240 -2.014845
C 2.951535 2.627826 -0.736521
C -5.297233 0.765739 -1.294285
C -4.856930 -0.957158 -2.942503
C 2.157678 2.762823 0.532037
C -5.470369 0.247485 -2.582210
C 0.809603 3.144093 0.486568
C 2.768449 2.501148 1.768022
C 0.081435 3.275612 1.673041
C 2.037126 2.634247 2.950412
C 0.694107 3.024246 2.904652
H 2.985042 -3.051661 -0.555836
H 3.589124 -1.949974 0.677873
H 2.577218 -0.914034 -2.081793
H -3.669181 -2.617722 0.907997
H 0.615513 -3.200983 -1.121092
H 2.081498 -0.142895 1.597691
H -0.236336 0.432814 2.297449
H 5.392125 -1.617351 -1.353958
H 4.478457 -2.325648 -2.526295
H -4.362059 0.482982 0.640009
H -3.579580 -2.582156 -2.291915
H 4.017113 2.896007 -0.606373
H 2.520533 3.183488 -1.590611
H -5.769589 1.706773 -1.017300
H -4.986380 -1.355716 -3.947469
H -6.081171 0.784387 -3.306706
H 0.324883 3.329866 -0.470965
H 3.813943 2.180165 1.797359
H -0.965436 3.572463 1.635710
H 2.514275 2.434747 3.908620
H 0.126886 3.132470 3.827428


%chk=000281019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281019

0 1
O -1.885317 -2.588013 -0.446251
O -2.266531 -1.379374 1.587325
O 2.230006 0.599773 -1.596257
O 4.237064 0.748969 -0.410983
N 4.898388 -1.645432 -1.818404
C 3.158305 -2.241650 -0.043427
C 1.738560 -2.026053 0.453818
C -0.645805 -2.208362 0.141637
C 3.527046 -1.419672 -1.340150
C -2.916489 -1.822904 0.303829
C -0.873005 -1.494196 1.336240
C 0.635756 -2.502368 -0.319292
C 1.497602 -1.308540 1.652748
C 0.183941 -1.035328 2.122261
C -3.409082 -0.616954 -0.482252
C 3.393667 0.078163 -1.055110
C -4.210194 0.350647 0.174883
C -3.101704 -0.461090 -1.853875
C 1.974257 2.074829 -1.363737
C -4.693183 1.470464 -0.536068
C -3.585311 0.662664 -2.563065
C 1.237767 2.328873 -0.068542
C -4.381571 1.629448 -1.907879
C -0.171112 2.178702 -0.003191
C 1.944740 2.740594 1.090147
C -0.863791 2.434325 1.200315
C 1.252034 3.004662 2.292658
C -0.153771 2.853781 2.349451
H 3.325052 -3.306786 -0.302006
H 3.890524 -1.973646 0.740904
H 2.809078 -1.679898 -2.137143
H -3.716444 -2.527682 0.584492
H 0.787124 -3.066900 -1.244553
H 2.350611 -0.934969 2.229833
H 0.009752 -0.474128 3.043317
H 5.609608 -1.176378 -1.248090
H 5.121259 -2.620511 -2.033704
H -4.435639 0.233816 1.240917
H -2.486134 -1.216189 -2.351882
H 2.949297 2.590563 -1.388771
H 1.368457 2.342762 -2.243439
H -5.309837 2.217325 -0.023772
H -3.342751 0.780280 -3.625073
H -4.757359 2.498498 -2.459353
H -0.726319 1.851704 -0.891140
H 3.035251 2.838603 1.044661
H -1.950874 2.305469 1.237589
H 1.805592 3.329291 3.181088
H -0.691815 3.062119 3.281497


