%chk=000248591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248591

0 1
O -4.266673 -0.046275 0.623224
O -6.078989 -1.348792 0.653385
O 6.261196 -0.774915 -1.327768
C -1.813371 -0.001435 0.384641
C -0.904927 1.096620 -0.255427
C 0.495646 1.084833 0.372856
C -3.184814 0.358424 -0.284099
C 1.137541 -0.300187 0.065642
C -1.206523 -1.372642 0.046924
C -1.748492 2.381843 -0.164705
C -3.207816 1.905157 -0.334890
C 0.241031 -1.455729 0.560627
C 2.586603 -0.391344 0.650809
C 1.364794 2.220808 -0.191849
C -3.492078 -0.326498 -1.637305
C -1.973026 0.134999 1.904868
C 2.791832 2.154078 0.364333
C 3.390556 0.797048 0.121864
C -4.738172 -1.183304 -1.412087
C 2.614115 -0.344245 2.190480
C 3.199794 -1.719144 0.239405
C -5.152624 -0.924524 0.018204
C 4.560370 0.656627 -0.519835
C 4.362350 -1.842282 -0.403926
C 5.173196 -0.658838 -0.800700
H -0.784957 0.858010 -1.344121
H 0.412927 1.213340 1.478291
H 1.235812 -0.393785 -1.045661
H -1.234211 -1.552577 -1.046372
H -1.810095 -2.181039 0.501931
H -1.466799 3.110607 -0.940475
H -1.608816 2.888757 0.805314
H -3.852455 2.286407 0.481080
H -3.652327 2.281257 -1.268826
H 0.229623 -1.470377 1.669708
H 0.675942 -2.425407 0.248445
H 0.914543 3.200922 0.055354
H 1.393325 2.171821 -1.298108
H -2.635416 -0.938530 -1.981352
H -3.657510 0.421580 -2.433255
H -2.742741 -0.558609 2.274963
H -1.042384 -0.080425 2.438251
H -2.301137 1.139100 2.195502
H 2.794771 2.372257 1.453375
H 3.409515 2.954159 -0.093213
H -4.546442 -2.262511 -1.567170
H -5.562711 -0.925203 -2.104441
H 2.118947 -1.216789 2.631883
H 3.645056 -0.328828 2.566438
H 2.105127 0.546699 2.576382
H 2.619305 -2.598565 0.530602
H 5.136552 1.507916 -0.884756
H 4.792940 -2.806674 -0.675542


%chk=000248591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248591

0 1
O -4.432804 -0.055435 0.465519
O -5.970059 -1.784515 0.277375
O 6.047881 -0.951793 -1.789622
C -1.896262 0.074114 0.437672
C -0.946819 1.159571 -0.160861
C 0.481893 1.113684 0.422768
C -3.237455 0.469743 -0.289010
C 1.087262 -0.304599 0.151037
C -1.297669 -1.322426 0.138883
C -1.758524 2.477508 -0.043405
C -3.247791 2.028165 -0.219153
C 0.158574 -1.439313 0.669941
C 2.592602 -0.423828 0.677276
C 1.370730 2.225306 -0.179456
C -3.440511 -0.111388 -1.723367
C -2.103690 0.235674 1.970808
C 2.834623 2.127539 0.326498
C 3.383612 0.739077 0.070373
C -4.263647 -1.398753 -1.515989
C 2.661175 -0.341140 2.242611
C 3.170417 -1.773242 0.289124
C -5.009663 -1.158490 -0.199132
C 4.487521 0.543227 -0.716473
C 4.274686 -1.948088 -0.490314
C 5.016101 -0.794454 -1.054503
H -0.843827 0.934247 -1.247920
H 0.420237 1.281320 1.518524
H 1.153317 -0.411832 -0.955370
H -1.281575 -1.505394 -0.954574
H -1.913395 -2.121474 0.597515
H -1.458386 3.218616 -0.804115
H -1.600705 2.945584 0.946506
H -3.870622 2.340399 0.636600
H -3.706239 2.460930 -1.125146
H 0.147024 -1.445778 1.775743
H 0.556381 -2.421049 0.353807
H 0.958407 3.219771 0.075393
H 1.363293 2.142375 -1.286026
H -2.486556 -0.284963 -2.247261
H -4.023403 0.609338 -2.323665
H -2.827677 -0.513980 2.331735
H -1.161522 0.099907 2.527287
H -2.508504 1.226773 2.236367
H 2.849687 2.354730 1.412064
H 3.466210 2.884945 -0.171382
H -3.629601 -2.296062 -1.396016
H -4.986787 -1.609894 -2.319581
H 2.177985 -1.219531 2.704958
H 3.714483 -0.323802 2.572428
H 2.163437 0.564268 2.629063
H 2.668490 -2.652018 0.715463
H 5.029250 1.394954 -1.146745
H 4.666319 -2.944729 -0.725356


