%chk=000272872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272872

0 1
O 1.091798 -0.210233 2.419663
O 1.628305 -0.331198 -2.181995
O -0.037176 2.933696 -0.875640
O -2.524304 0.242353 1.293110
N 1.432163 0.084050 0.131219
N -0.532044 2.147320 1.211271
N -4.094259 1.656760 0.356915
C 1.662523 1.544445 0.216190
C 2.626315 2.076535 -0.853673
C 1.178296 -0.699564 1.321805
C 1.447996 -0.731705 -1.064473
C 1.041446 -2.109817 0.843799
C 1.195576 -2.129631 -0.570649
C 0.289908 2.255801 0.079556
C 4.038132 1.619053 -0.620326
C 0.792976 -3.264454 1.554018
C 1.103389 -3.306087 -1.281725
C 4.805188 2.186756 0.409078
C 4.599530 0.626994 -1.438045
C -1.935718 2.579105 1.113799
C 0.700452 -4.475175 0.825843
C 0.851635 -4.495354 -0.555448
C 6.119619 1.761243 0.617361
C 5.915197 0.207222 -1.226408
C 6.677334 0.771443 -0.198512
C -2.849131 1.356821 0.934809
C -5.156338 0.722970 0.112054
C -6.309364 1.216523 -0.534816
C -5.079618 -0.624817 0.499874
C -7.375096 0.351775 -0.783882
C -6.159142 -1.471201 0.240011
C -7.306579 -0.991460 -0.398703
H 2.089044 1.762313 1.240549
H 2.267469 1.783098 -1.871006
H 2.574933 3.188622 -0.868530
H 0.667704 -3.251088 2.637727
H 1.217014 -3.326267 -2.366556
H -0.342344 1.443791 1.938018
H 4.380838 2.961506 1.043736
H 4.005889 0.186774 -2.241448
H -2.039617 3.312898 0.273290
H -2.220881 3.115385 2.050599
H 0.504152 -5.402045 1.367603
H 0.774483 -5.438355 -1.099538
H 6.711621 2.203502 1.416935
H 6.347681 -0.560829 -1.865510
H 7.701290 0.443318 -0.035106
H -4.267038 2.609747 0.028066
H -6.376119 2.256628 -0.842367
H -4.184224 -1.010938 0.997387
H -8.267318 0.728485 -1.283746
H -6.101658 -2.517632 0.540403
H -8.141728 -1.658882 -0.596484


%chk=000272872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272872

0 1
O 1.152864 -0.081639 2.442169
O 1.590950 -0.338873 -2.244205
O -0.063355 2.999403 -1.019692
O -2.549792 0.091637 1.225302
N 1.493272 0.144854 0.104076
N -0.589480 2.085346 1.062416
N -4.154926 1.547913 0.303526
C 1.646832 1.619743 0.151356
C 2.680142 2.179427 -0.853105
C 1.273118 -0.602651 1.299830
C 1.483212 -0.705101 -1.050213
C 1.187334 -2.032923 0.892138
C 1.307390 -2.095772 -0.516329
C 0.255836 2.302534 -0.012830
C 4.082828 1.629584 -0.628270
C 0.998994 -3.186967 1.666269
C 1.246196 -3.317503 -1.201081
C 4.816046 1.966811 0.540056
C 4.690740 0.779536 -1.586456
C -1.991682 2.478378 1.008000
C 0.940743 -4.429815 0.983574
C 1.062472 -4.493931 -0.427761
C 6.119192 1.464848 0.748894
C 5.996288 0.276082 -1.382207
C 6.714688 0.615066 -0.213104
C -2.913803 1.243410 0.847978
C -5.277784 0.690507 0.097066
C -6.441363 1.269580 -0.477306
C -5.269120 -0.687986 0.438699
C -7.586546 0.481541 -0.707722
C -6.425982 -1.462222 0.202565
C -7.586665 -0.891566 -0.367699
H 1.988965 1.822429 1.185867
H 2.333264 1.981550 -1.878381
H 2.669636 3.277610 -0.719087
H 0.898959 -3.123418 2.754031
H 1.334227 -3.353973 -2.291309
H -0.286993 1.453306 1.814353
H 4.369814 2.636415 1.287390
H 4.134252 0.512569 -2.492279
H -2.099756 3.179925 0.160396
H -2.278574 3.007993 1.937906
H 0.796259 -5.354334 1.552581
H 1.010077 -5.467273 -0.927218
H 6.671828 1.739006 1.654863
H 6.451321 -0.377413 -2.135290
H 7.727182 0.227044 -0.054163
H -4.282914 2.513661 -0.010930
H -6.449190 2.334567 -0.744679
H -4.369582 -1.128146 0.872237
H -8.476588 0.939723 -1.152599
H -6.414539 -2.525526 0.467125
H -8.476090 -1.504762 -0.546648


