%chk=000217805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217805

0 1
O 2.286541 1.652736 1.095373
O -0.995661 -2.590256 0.939177
O -6.278887 1.035035 -0.332910
N 3.855350 0.067486 0.642898
N -0.897146 -0.422969 0.087524
C 1.497833 -0.218447 -0.199452
C 0.160413 0.565971 -0.277529
C 1.163564 -1.526889 0.535513
C 4.916512 0.946313 1.221895
C 4.394725 -0.961921 -0.284649
C 2.561910 0.601180 0.535006
C 5.757323 1.611957 0.121021
C 5.212617 -0.320949 -1.420119
C 6.324876 0.573349 -0.855121
C -0.355573 -1.627701 0.572575
C -2.286556 -0.084083 0.000650
C -3.264686 -1.090872 0.104389
C -2.676548 1.259597 -0.196804
C -4.619199 -0.770709 0.002957
C -4.022682 1.585603 -0.303916
C -4.987507 0.563296 -0.204087
C -7.356997 0.076499 -0.220562
H 1.853503 -0.436651 -1.234519
H 0.158719 1.424091 0.440503
H -0.017109 0.966340 -1.295460
H 1.554236 -1.541106 1.574791
H 1.590964 -2.417495 0.040883
H 5.552534 0.316444 1.880744
H 4.436037 1.720771 1.866968
H 3.580307 -1.590961 -0.696892
H 5.042942 -1.643267 0.315348
H 6.577662 2.193624 0.581948
H 5.136170 2.348029 -0.427379
H 4.549884 0.275249 -2.076385
H 5.646570 -1.112036 -2.059877
H 6.854689 1.083363 -1.682017
H 7.085129 -0.048448 -0.343707
H -2.969874 -2.133001 0.276462
H -1.936831 2.055978 -0.257608
H -5.361147 -1.559003 0.088461
H -4.346258 2.613405 -0.457512
H -7.352278 -0.388124 0.769665
H -7.291069 -0.666163 -1.020623
H -8.239703 0.716235 -0.349724


%chk=000217805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217805

0 1
O 2.317206 1.607589 1.471099
O -1.023090 -2.722457 0.859439
O -6.385858 1.014368 -0.445864
N 3.893746 0.280332 0.395062
N -0.931564 -0.428311 0.207513
C 1.448499 -0.156268 0.012995
C 0.107285 0.621442 0.041176
C 1.125506 -1.472762 0.773566
C 5.003856 1.007012 1.060555
C 4.336881 -0.820024 -0.489559
C 2.583559 0.651584 0.669951
C 5.992185 1.571575 0.017273
C 5.317012 -0.298460 -1.569571
C 6.504377 0.452125 -0.920363
C -0.391005 -1.653956 0.619528
C -2.317975 -0.114204 0.054661
C -3.323770 -1.115717 0.112740
C -2.713837 1.237120 -0.162966
C -4.683824 -0.776852 -0.047123
C -4.068002 1.573004 -0.325439
C -5.063997 0.568939 -0.270738
C -7.446167 0.007238 -0.378820
H 1.692646 -0.398001 -1.036524
H 0.103497 1.334849 0.885810
H -0.059039 1.179069 -0.897144
H 1.352024 -1.382767 1.853332
H 1.655751 -2.361061 0.393773
H 5.533559 0.301933 1.735765
H 4.553437 1.803083 1.673771
H 3.469495 -1.310165 -0.956235
H 4.853230 -1.585221 0.129266
H 6.837433 2.054868 0.542946
H 5.481700 2.354693 -0.576170
H 4.772850 0.384769 -2.250931
H 5.677877 -1.153188 -2.173275
H 7.165658 0.870944 -1.701497
H 7.114187 -0.266220 -0.333706
H -3.033136 -2.151780 0.295356
H -1.971510 2.039493 -0.191680
H -5.431295 -1.574209 0.006730
H -4.374353 2.610422 -0.489958
H -7.467548 -0.490617 0.610555
H -7.329706 -0.756048 -1.173306
H -8.382482 0.563340 -0.534096


