%chk=000220540.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220540

0 1
O 7.166431 0.525863 0.752956
O 7.112098 -0.672596 -1.046123
N -5.517479 -0.241842 0.440969
N 0.109687 0.284173 -0.165890
N 0.927340 -0.516961 0.334917
N 6.572957 -0.098560 -0.112654
C -4.093913 -0.188373 0.262615
C -3.523631 0.922641 -0.424101
C -3.233640 -1.155589 0.829121
C -2.135014 1.021647 -0.539225
C -1.292441 0.047312 0.032527
C -1.852345 -1.041208 0.725213
C -6.006401 -1.176471 1.493234
C -6.288901 -0.412490 -0.825065
C -4.320603 2.022396 -1.004781
C 2.337028 -0.292045 0.143467
C 3.058280 0.424117 1.119182
C 2.997054 -0.935595 -0.922114
C 5.103532 -0.164417 -0.024537
C 4.445401 0.484880 1.034766
C 4.384247 -0.872606 -1.003279
C -5.186564 2.756582 -0.307130
H -3.645200 -2.017959 1.351784
H -1.689213 1.871343 -1.065395
H -1.201985 -1.797869 1.171051
H -5.887906 -2.244451 1.255013
H -7.079502 -0.979486 1.661489
H -5.490492 -0.963323 2.445025
H -6.267850 -1.440971 -1.217641
H -5.907689 0.260606 -1.610213
H -7.337953 -0.127398 -0.637131
H -4.114899 2.221085 -2.059928
H 2.531634 0.924114 1.932865
H 2.423633 -1.478712 -1.673987
H 5.031023 1.034545 1.781132
H 4.923015 -1.365085 -1.821370
H -5.742124 3.580776 -0.729788
H -5.408614 2.574728 0.738025


%chk=000220540-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220540

0 1
O 7.020568 1.167917 -0.629959
O 7.320733 -0.997150 0.031084
N -5.459934 -0.475070 0.139981
N 0.150764 0.288127 -0.033887
N 0.932624 -0.733791 0.259974
N 6.566312 0.017130 -0.248385
C -4.082170 -0.240121 0.222136
C -3.496847 1.059245 -0.051776
C -3.204142 -1.326993 0.562217
C -2.089591 1.138941 -0.158195
C -1.231944 0.039660 0.106919
C -1.816502 -1.200965 0.508763
C -6.055450 -1.661573 0.778266
C -6.290855 0.127967 -0.920518
C -4.221537 2.352572 -0.086251
C 2.324278 -0.457634 0.105000
C 2.871790 0.794814 -0.309706
C 3.195108 -1.544163 0.401007
C 5.104531 -0.147778 -0.125489
C 4.259731 0.950648 -0.425148
C 4.587189 -1.397623 0.287754
C -5.387071 2.687679 0.536492
H -3.633661 -2.303026 0.805370
H -1.617752 2.100592 -0.391736
H -1.158781 -2.046608 0.730431
H -5.934936 -2.583659 0.169669
H -7.136372 -1.483810 0.913498
H -5.613421 -1.831648 1.773592
H -6.770739 -0.681288 -1.505850
H -5.671539 0.729612 -1.599886
H -7.083087 0.784546 -0.512190
H -3.672718 3.157208 -0.598408
H 2.185984 1.617029 -0.531503
H 2.747913 -2.491386 0.717589
H 4.710696 1.895543 -0.739916
H 5.276140 -2.216569 0.508798
H -5.755710 3.718327 0.508033
H -5.970600 1.966101 1.117229


