%chk=000187545.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187545

0 1
O 1.104931 -1.236063 -0.945186
O -1.078197 2.188314 3.912309
O -3.945493 1.328566 -0.412112
O -2.008237 -0.760685 -1.865076
O -3.748589 -1.775705 -0.796726
N 1.651378 -0.198944 1.012680
N -0.677909 0.188500 0.395432
N 0.256108 0.997557 2.474052
C 3.439086 -1.476802 -0.211830
C 3.849902 -2.148981 1.102083
C 3.514024 -2.483358 -1.365686
C 4.310920 -0.251917 -0.509801
C 1.966831 -0.993604 -0.118204
C 0.375742 0.356135 1.325429
C -1.926722 0.739231 0.739445
C -2.105334 1.413475 1.899239
C -0.988529 1.594966 2.866400
C -3.064520 0.539307 -0.232636
C -3.041639 -0.824824 -0.970969
C -1.683732 -1.949506 -2.644160
H 3.142063 -2.930945 1.405254
H 4.829832 -2.636266 0.998397
H 3.944905 -1.443972 1.935678
H 2.907288 -3.376245 -1.168796
H 4.543723 -2.815723 -1.539433
H 3.142731 -2.051806 -2.305576
H 4.002344 0.256566 -1.432681
H 5.360447 -0.545825 -0.648006
H 4.296014 0.490378 0.296054
H 2.374175 -0.006959 1.727702
H -0.528688 -0.298734 -0.521343
H -3.061693 1.860082 2.180448
H -1.902114 -1.686160 -3.683795
H -2.268955 -2.816603 -2.318420
H -0.607293 -2.091551 -2.468168


%chk=000187545-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187545

0 1
O 1.147001 -1.146569 -1.010660
O -1.212593 1.658796 4.285363
O -4.222620 0.970191 0.196632
O -1.728497 -0.542434 -1.801275
O -4.028224 -0.915614 -1.947005
N 1.574494 -0.429359 1.158382
N -0.706942 -0.001773 0.569930
N 0.194287 0.588806 2.728253
C 3.434093 -1.484071 -0.160566
C 4.272529 -1.249761 1.120694
C 3.394753 -3.004900 -0.494349
C 4.065525 -0.706517 -1.353709
C 1.966885 -1.011742 -0.044124
C 0.301302 0.077187 1.510631
C -1.972359 0.495082 0.904877
C -2.165683 1.051624 2.157299
C -1.063971 1.136628 3.143358
C -3.129616 0.404203 -0.054069
C -3.044556 -0.433108 -1.361946
C -1.472898 -1.304649 -3.054456
H 3.873553 -1.803804 1.992008
H 5.298988 -1.619195 0.951221
H 4.359431 -0.176462 1.377925
H 2.970185 -3.590454 0.341691
H 4.420629 -3.369357 -0.682745
H 2.783101 -3.187231 -1.393721
H 3.472106 -0.856770 -2.271117
H 5.092413 -1.073237 -1.531958
H 4.118837 0.377920 -1.145724
H 2.249861 -0.326577 1.920904
H -0.502211 -0.390924 -0.373538
H -3.150422 1.436295 2.433736
H -1.799819 -0.701228 -3.916615
H -2.028086 -2.256297 -3.030877
H -0.386681 -1.462797 -3.052450


