%chk=000248989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248989

0 1
O -0.317505 1.918337 0.075211
O -6.230999 -0.450271 -0.499297
O 6.420468 0.243362 0.765431
O 6.137075 -1.599560 -0.330496
N 5.732429 -0.549999 0.143939
C 0.180410 0.724006 -0.608950
C -0.803723 0.617066 0.542869
C 1.618496 0.402409 -0.406391
C -2.228926 0.304933 0.280805
C 2.450675 1.284922 0.300056
C 2.134617 -0.792520 -0.934875
C -3.062826 1.254333 -0.343818
C -2.747309 -0.937845 0.663684
C 3.798288 0.980438 0.481454
C 3.480495 -1.107286 -0.755745
C -4.397364 0.965784 -0.586757
C -4.087992 -1.253476 0.425812
C 4.304144 -0.217706 -0.047403
C -4.899614 -0.296099 -0.197102
C -6.871491 -1.699104 -0.139945
H -0.184320 0.637611 -1.641072
H -0.429949 0.360290 1.542151
H 2.027635 2.212575 0.700100
H 1.486357 -1.475773 -1.484503
H -2.641653 2.223358 -0.628895
H -2.105688 -1.672772 1.151043
H 4.462595 1.659582 1.027760
H 3.901891 -2.034878 -1.159149
H -5.062420 1.682726 -1.064141
H -4.477461 -2.220453 0.724855
H -6.406929 -2.532322 -0.674535
H -7.898829 -1.531003 -0.490569
H -6.846680 -1.841164 0.944174


%chk=000248989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248989

0 1
O -0.310861 1.996568 0.148023
O -6.276100 -0.614170 -0.656309
O 6.399031 -0.088125 1.147517
O 6.318544 -1.385984 -0.727322
N 5.775917 -0.586427 0.131113
C 0.216256 0.806788 -0.611661
C -0.804559 0.608026 0.499793
C 1.656358 0.470535 -0.425117
C -2.233450 0.293131 0.226331
C 2.387179 0.996642 0.673638
C 2.303995 -0.397491 -1.344432
C -2.962131 0.982697 -0.782099
C -2.889482 -0.717658 0.967747
C 3.738218 0.655492 0.862071
C 3.653799 -0.752204 -1.167929
C -4.301240 0.658903 -1.046911
C -4.235121 -1.059627 0.709338
C 4.352466 -0.221076 -0.060916
C -4.942457 -0.369739 -0.306882
C -6.991558 -1.661489 0.078737
H -0.171734 0.731486 -1.637261
H -0.400101 0.238501 1.453301
H 1.887669 1.697963 1.349944
H 1.747178 -0.796923 -2.199791
H -2.478585 1.800444 -1.328179
H -2.347010 -1.251192 1.758245
H 4.324037 1.052560 1.695131
H 4.173244 -1.418864 -1.861004
H -4.877400 1.187339 -1.812291
H -4.713699 -1.846627 1.299506
H -6.508216 -2.648446 -0.056723
H -8.000547 -1.679052 -0.357844
H -7.055745 -1.422479 1.157936


