%chk=000232088.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232088

0 1
O 4.991559 -0.331877 0.000697
O -4.991301 0.330555 -0.000279
O 3.491976 -2.062792 0.001182
O -3.491658 2.061421 -0.001076
N 2.820489 0.200999 0.000938
N -2.820261 -0.202372 0.000388
C 1.394662 0.067829 0.000743
C -1.394430 -0.069218 0.000466
C 7.323191 -0.472909 0.000242
C -7.322921 0.471636 -0.000461
C 0.758324 -1.186414 0.001202
C -0.631677 -1.254728 0.001060
C 0.631905 1.253340 0.000128
C -0.758094 1.185024 -0.000001
C 6.084959 -1.319741 0.000730
C -6.084687 1.318453 -0.000868
C 7.902064 -0.076067 -1.214388
C -7.901980 0.073783 -1.214672
C 7.902867 -0.075835 1.214415
C -7.902414 0.075576 1.214129
C 3.715056 -0.870533 0.001061
C -3.714795 0.869173 -0.000495
C 9.062904 0.702109 -1.211775
C -9.062823 -0.704387 -1.211236
C 9.063706 0.702337 1.210885
C -9.063257 -0.702596 1.211427
C 9.645414 1.089942 -0.000674
C -9.645152 -1.091209 0.000277
H 1.350102 -2.110320 0.001667
H -1.116236 -2.230462 0.001412
H 1.116459 2.229077 -0.000240
H -1.349884 2.108922 -0.000482
H 5.970998 -1.949453 -0.900362
H 5.971367 -1.948969 0.902204
H -5.970849 1.947409 -0.902499
H -5.970927 1.948406 0.900075
H 3.210135 1.148484 0.000737
H -3.209915 -1.149855 0.000899
H 7.445068 -0.368653 -2.158929
H -7.445127 0.365584 -2.159524
H 7.446498 -0.368241 2.159313
H -7.445901 0.368771 2.158714
H 9.512644 1.008491 -2.155015
H -9.512708 -1.011551 -2.154152
H 9.514073 1.008895 2.153768
H -9.513481 -1.008366 2.154634
H 10.550381 1.695506 -0.001030
H -10.550121 -1.696773 0.000564


%chk=000232088-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232088

0 1
O 5.056415 -0.253522 -0.000213
O -5.056156 0.252205 0.000581
O 3.575395 -2.092420 0.000743
O -3.575138 2.091103 -0.000632
N 2.838772 0.166022 -0.000251
N -2.838514 -0.167338 0.000948
C 1.421960 0.043558 0.000066
C -1.421702 -0.044874 0.000620
C 7.476076 -0.434812 0.000196
C -7.475818 0.433496 -0.000166
C 0.751270 -1.207628 0.000895
C -0.655284 -1.239260 0.001153
C 0.655542 1.237945 -0.000468
C -0.751012 1.206312 -0.000197
C 6.193962 -1.229938 0.000356
C -6.193705 1.228623 -0.000315
C 8.088247 -0.057430 -1.221697
C -8.087437 0.054762 -1.221917
C 8.088198 -0.056867 1.221937
C -8.088492 0.056902 1.221716
C 3.777245 -0.851083 -0.000038
C -3.776988 0.849766 0.000385
C 9.288041 0.688504 -1.224125
C -9.287227 -0.691177 -1.224065
C 9.287996 0.689063 1.224072
C -9.288292 -0.689024 1.224131
C 9.890117 1.063883 -0.000100
C -9.889858 -1.065202 0.000101
H 1.329349 -2.133539 0.001300
H -1.162847 -2.212483 0.001782
H 1.163105 2.211167 -0.001120
H -1.329091 2.132224 -0.000632
H 6.095596 -1.868938 -0.895354
H 6.095368 -1.868187 0.896576
H -6.094982 1.866691 -0.896650
H -6.095464 1.867802 0.895281
H 3.229667 1.110683 -0.000725
H -3.229408 -1.112000 0.001596
H 7.623192 -0.349587 -2.171234
H -7.621953 0.345871 -2.171566
H 7.623102 -0.348584 2.171590
H -7.623825 0.349668 2.171256
H 9.753722 0.972787 -2.174382
H -9.752476 -0.976513 -2.174219
H 9.753640 0.973779 2.174218
H -9.754368 -0.972689 2.174379
H 10.822732 1.639543 -0.000215
H -10.822472 -1.640862 0.000203


