%chk=000250618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250618

0 1
O 6.666641 0.425670 -0.787548
O -6.665886 -0.422831 -0.786988
O 5.872838 -1.281145 0.471428
O -5.871506 1.277432 0.480457
C 0.648759 -0.410470 -0.201205
C -0.647727 0.410259 -0.198867
C 1.885323 0.498553 -0.196551
C -1.884288 -0.498777 -0.198236
C 3.177772 -0.326077 -0.200530
C -3.176738 0.325862 -0.197657
C 4.414193 0.579507 -0.199009
C -4.413167 -0.579718 -0.200284
C 5.674956 -0.233154 -0.096488
C -5.673884 0.232400 -0.092976
C 8.808070 0.449470 0.374846
C -8.806825 -0.452752 0.376149
C 8.012793 -0.143468 -0.802191
C -8.012039 0.146386 -0.798078
C 10.255302 0.713521 -0.052733
C 8.755272 -0.474714 1.593191
C -10.254279 -0.714389 -0.052168
C -8.753381 0.464916 1.599383
H 0.671850 -1.081609 0.679661
H 0.672592 -1.075315 -1.086496
H -0.670442 1.076967 0.685367
H -0.671942 1.079538 -1.080799
H 1.861512 1.171014 -1.076118
H 1.860736 1.160826 0.690835
H -1.860805 -1.166893 -1.081115
H -1.859364 -1.165415 0.685866
H 3.202479 -0.994400 -1.084305
H 3.208892 -0.999668 0.681964
H -3.207565 0.995013 0.688220
H -3.201730 0.998614 -1.078057
H 4.439750 1.219491 -1.107725
H 4.381835 1.288105 0.657587
H -4.439135 -1.214972 -1.112303
H -4.380432 -1.292760 0.652602
H 8.329589 1.426701 0.644820
H -8.328307 -1.431451 0.640685
H 7.946542 -1.244217 -0.773816
H 8.377295 0.194310 -1.788068
H -7.945773 1.246970 -0.763921
H -8.376955 -0.186186 -1.785570
H 10.311246 1.441103 -0.869612
H 10.841948 1.116419 0.781613
H 10.757258 -0.202387 -0.383785
H 9.156135 0.014893 2.485991
H 7.722606 -0.783605 1.815691
H 9.330688 -1.393811 1.436646
H -10.310667 -1.437618 -0.872873
H -10.840586 -1.121654 0.780294
H -10.756295 0.203313 -0.378124
H -9.153838 -0.029425 2.489753
H -7.720592 0.772563 1.823027
H -9.328819 1.384868 1.448023


%chk=000250618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250618

0 1
O 6.855529 0.410530 -0.758281
O -6.853957 -0.407019 -0.755296
O 5.891427 -1.457249 0.270128
O -5.889782 1.455729 0.282135
C 0.651310 -0.415796 -0.328964
C -0.649817 0.417554 -0.327892
C 1.930456 0.451127 -0.328921
C -1.928914 -0.449445 -0.327954
C 3.225766 -0.389413 -0.330518
C -3.224318 0.390947 -0.327052
C 4.493465 0.489881 -0.350336
C -4.491923 -0.488517 -0.347470
C 5.777910 -0.315304 -0.231184
C -5.776330 0.316158 -0.224572
C 9.104456 0.606469 0.292679
C -9.103646 -0.610103 0.292232
C 8.216045 -0.199659 -0.672993
C -8.214482 0.202730 -0.667089
C 10.552755 0.065043 0.210249
C 8.564491 0.556717 1.739068
C -10.551883 -0.068060 0.212561
C -8.564699 -0.570674 1.739301
H 0.661635 -1.082750 0.558168
H 0.659942 -1.081151 -1.217515
H -0.659452 1.083346 0.560120
H -0.659182 1.084062 -1.215570
H 1.918398 1.120056 -1.214989
H 1.921869 1.114424 0.561629
H -1.917618 -1.117066 -1.215018
H -1.919460 -1.114057 0.561606
H 3.231776 -1.062448 -1.210587
H 3.254663 -1.045979 0.559368
H -3.252651 1.045879 0.564054
H -3.231090 1.065535 -1.205931
H 4.546840 1.110814 -1.262595
H 4.469475 1.200217 0.502380
H -4.546363 -1.107210 -1.261165
H -4.466675 -1.200836 0.503562
H 9.102445 1.661198 -0.049879
H -9.101442 -1.662378 -0.057787
H 8.113613 -1.250498 -0.344282
H 8.610568 -0.159802 -1.703366
H -8.112288 1.251306 -0.331135
H -8.608180 0.170017 -1.698036
H 10.954042 0.124530 -0.818978
H 11.221650 0.647842 0.868722
H 10.599443 -0.992072 0.535242
H 9.209599 1.145195 2.416899
H 7.542605 0.971629 1.799935
H 8.532482 -0.484499 2.111592
H -10.952551 -0.120642 -0.817287
H -11.221215 -0.655229 0.866695
H -10.598730 0.986853 0.544577
H -9.209470 -1.165138 2.412212
H -7.542305 -0.984688 1.797604
H -8.534325 0.467694 2.119827


