%chk=000117027.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117027

0 1
O -2.760701 1.468831 2.021613
O -1.233606 1.323501 0.501122
O -7.440493 -1.579615 -0.737159
O -7.228843 0.064892 0.654531
O 3.649262 4.332253 -0.681912
N -1.159558 -1.298692 -0.546553
N -2.306674 0.995427 0.998255
N -6.775895 -0.780617 -0.098404
N 2.876995 3.478234 0.150879
C 3.598555 -0.773092 -0.182549
C 2.229885 -0.214325 -0.332952
C -2.517582 -1.001146 -0.547563
C -3.107336 -0.006852 0.286901
C -5.312722 -0.839516 -0.252994
C -4.503472 0.042637 0.457176
C -3.379632 -1.876124 -1.273479
C -4.746941 -1.800668 -1.131436
C 4.287036 -0.621622 1.031323
C 4.202707 -1.456453 -1.249069
C 1.206769 -1.030563 -0.673671
C 2.049040 1.212741 -0.068359
C -0.156058 -0.543059 -0.878833
C 5.569680 -1.155837 1.175839
C 5.489226 -1.981429 -1.100305
C 6.172587 -1.833974 0.111055
C 3.013558 2.130235 -0.287415
C 4.785175 4.844882 0.071960
H -4.950429 0.783977 1.142041
H -2.926741 -2.626915 -1.927249
H -5.417043 -2.474475 -1.682732
H 3.816007 -0.091499 1.859834
H 3.670420 -1.574780 -2.192007
H 1.353407 -2.110094 -0.777630
H 1.075910 1.496268 0.351633
H -0.254317 0.461145 -1.341446
H 6.100064 -1.044354 2.120737
H 5.958607 -2.509207 -1.929388
H 7.173076 -2.248310 0.226026
H 3.991753 1.882085 -0.723571
H 1.930440 3.871827 0.112257
H 4.445274 5.409818 0.944279
H 5.450310 4.030006 0.368032
H 5.255299 5.499359 -0.671619


%chk=000117027-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117027

0 1
O -3.232490 1.053485 2.471317
O -1.551796 1.378258 0.966174
O -7.525434 -1.742598 -1.212315
O -7.493443 -0.211767 0.485959
O 4.114908 4.416744 -0.823790
N -1.216409 -1.205406 -0.496062
N -2.660352 0.809669 1.339096
N -6.900743 -0.972918 -0.377367
N 3.162649 3.590423 -0.099891
C 3.642077 -0.755408 -0.187269
C 2.302572 -0.090985 -0.227743
C -2.565946 -0.966591 -0.502500
C -3.315309 -0.120882 0.408618
C -5.432072 -0.969357 -0.418137
C -4.722740 -0.156330 0.477174
C -3.360763 -1.795404 -1.374689
C -4.752849 -1.790696 -1.360285
C 4.635206 -0.369207 0.756834
C 3.934043 -1.826702 -1.077467
C 1.165794 -0.908271 -0.337777
C 2.194432 1.352249 -0.114653
C -0.162534 -0.409992 -0.548688
C 5.879830 -1.032812 0.806788
C 5.182022 -2.483258 -1.033586
C 6.160618 -2.089099 -0.090894
C 3.244989 2.232164 -0.321039
C 4.948702 5.177648 0.141075
H -5.254501 0.461379 1.205643
H -2.811547 -2.455492 -2.052111
H -5.337028 -2.414848 -2.041151
H 4.409900 0.423565 1.478508
H 3.183901 -2.123627 -1.818821
H 1.271926 -1.992889 -0.230060
H 1.216044 1.768864 0.156543
H -0.286651 0.648400 -0.821396
H 6.624954 -0.734713 1.552595
H 5.393077 -3.297695 -1.735139
H 7.127963 -2.601969 -0.053463
H 4.234345 1.895884 -0.645580
H 2.252084 4.056224 0.004887
H 4.325972 5.854735 0.754248
H 5.518965 4.492435 0.792628
H 5.628636 5.761691 -0.499014


