%chk=000236366.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236366

0 1
O -2.400988 2.046476 -1.652767
O 2.209263 2.351207 1.645428
C -2.621219 0.508338 0.248216
C 2.552145 0.910561 -0.187554
C -2.190606 1.917699 -0.224323
C 1.891212 2.240088 0.237420
C -1.820989 -0.600348 -0.445312
C 1.878350 -0.312379 0.446459
C -2.362753 -1.990312 -0.094969
C 2.616913 -1.606178 0.085348
C -2.990582 3.018755 0.482019
C 2.488232 3.445937 -0.498306
C -1.517215 -3.097647 -0.738037
C 1.919669 -2.835303 0.683122
C -0.754217 2.108018 -0.058295
C 0.439479 2.203567 0.074056
C -2.063970 -4.486592 -0.420570
C 2.663985 -4.126529 0.353844
H -3.702592 0.370191 0.063635
H -2.492573 0.436585 1.346010
H 2.535235 0.830379 -1.290648
H 3.619140 0.945382 0.114488
H -1.839982 -0.440912 -1.542657
H -0.742756 -0.526240 -0.157923
H 1.848709 -0.178316 1.547618
H 0.812414 -0.377704 0.120963
H -2.380994 -2.125342 1.003737
H -3.414796 -2.082893 -0.426201
H 3.662356 -1.556698 0.447227
H 2.684488 -1.711595 -1.014347
H -2.728532 3.094528 1.542987
H -4.069456 2.851995 0.414414
H -2.782657 3.994350 0.020385
H 3.561068 3.535603 -0.289336
H 2.014786 4.385342 -0.192918
H 2.359807 3.360115 -1.583634
H -1.472645 -2.952254 -1.834630
H -0.460341 -3.020243 -0.379693
H 0.871698 -2.899039 0.298991
H 1.830714 -2.722190 1.780939
H -3.309256 1.781806 -1.890447
H 1.791180 3.139751 2.039150
H -2.085501 -4.675682 0.658697
H -3.085487 -4.614543 -0.796143
H -1.446587 -5.268235 -0.877679
H 2.738943 -4.285187 -0.727828
H 2.153340 -4.997471 0.779398
H 3.684270 -4.116637 0.754266


%chk=000236366-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236366

0 1
O -2.514029 2.188383 -1.707869
O 2.233413 2.451897 1.686509
C -2.760402 0.530752 0.144976
C 2.658625 0.933283 -0.133785
C -2.241577 1.945150 -0.256625
C 1.914115 2.241484 0.241264
C -2.109632 -0.632776 -0.629086
C 2.178692 -0.319655 0.625053
C -2.695108 -2.008793 -0.241861
C 2.969960 -1.587368 0.233100
C -2.941943 3.046788 0.580569
C 2.451945 3.439209 -0.580614
C -1.992113 -3.185002 -0.957826
C 2.438539 -2.867165 0.918295
C -0.774196 2.045108 -0.104647
C 0.445644 2.122588 0.062368
C -2.578190 -4.561598 -0.577473
C 3.239752 -4.132201 0.541923
H -3.861054 0.517927 -0.011206
H -2.592148 0.392578 1.231666
H 2.550658 0.776715 -1.225039
H 3.733131 1.108052 0.072974
H -2.229433 -0.461090 -1.716708
H -1.019482 -0.631685 -0.431912
H 2.266358 -0.137114 1.712511
H 1.102432 -0.483393 0.414874
H -2.613022 -2.151977 0.856552
H -3.780264 -2.034465 -0.478027
H 4.041097 -1.451809 0.492583
H 2.931576 -1.723622 -0.868701
H -2.695359 2.950468 1.652625
H -4.040938 2.966916 0.472145
H -2.623390 4.043240 0.231677
H 3.537824 3.539606 -0.407660
H 1.955041 4.379942 -0.281168
H 2.270925 3.289273 -1.659596
H -2.064477 -3.039400 -2.054919
H -0.909598 -3.161582 -0.713467
H 1.372050 -3.008356 0.643578
H 2.459019 -2.726540 2.018201
H -3.499474 2.145143 -1.829016
H 1.723572 3.242298 2.002145
H -2.488879 -4.743506 0.510387
H -3.651630 -4.622154 -0.839745
H -2.055905 -5.383468 -1.101053
H 3.212349 -4.307816 -0.550350
H 2.834949 -5.032956 1.039421
H 4.301280 -4.031103 0.837556


