%chk=000206996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206996

0 1
O 0.720761 0.582196 -0.573966
O -4.937829 -0.644503 1.019263
O -5.335676 0.133758 -1.693766
O 0.207831 0.773529 1.644210
O 2.966302 3.256176 -2.534702
O 1.005144 2.439922 -2.144761
N 1.923944 -1.456420 1.001507
N 2.217156 2.442361 -2.015505
C 2.714944 -0.529960 0.337410
C 4.134517 -0.574598 0.367935
C 2.069593 0.504925 -0.441752
C 2.835148 1.399248 -1.185663
C 4.893546 0.374729 -0.387432
C 4.264496 1.321981 -1.147225
C -1.541330 0.455124 -0.037235
C 4.746083 -1.601009 1.158604
C -2.562303 -0.039179 0.802622
C -3.851156 -0.167389 0.303288
C -0.194265 0.590938 0.533811
C -1.810179 0.822988 -1.360516
C -4.133902 0.202105 -1.049702
C -3.105536 0.697362 -1.864871
C 3.957679 -2.500302 1.828667
C 2.529257 -2.398028 1.715398
C -4.722730 -0.957967 2.417406
C -6.494280 -0.345349 -0.960117
H 5.981757 0.323577 -0.348864
H 4.828741 2.052240 -1.741451
H 5.834524 -1.647535 1.211845
H -2.319014 -0.310354 1.830526
H -1.002321 1.216989 -1.994370
H -3.336004 0.982192 -2.892692
H 4.385167 -3.291853 2.442528
H 1.886433 -3.122034 2.233470
H -4.403863 -0.066336 2.965552
H -4.006198 -1.778486 2.517584
H -5.726901 -1.272886 2.729144
H -6.327354 -1.375823 -0.628173
H -7.279747 -0.284798 -1.722424
H -6.699132 0.315168 -0.110983


%chk=000206996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206996

0 1
O 0.762291 0.674834 -0.759656
O -4.947028 -0.429351 1.259261
O -5.400508 -0.666888 -1.601248
O 0.180179 0.656544 1.523727
O 3.133302 4.047965 -1.272138
O 1.357830 2.922106 -2.157658
N 1.878425 -1.598091 0.355882
N 2.440078 2.968757 -1.462640
C 2.718220 -0.533755 0.076630
C 4.141781 -0.571095 0.320168
C 2.127073 0.649979 -0.506497
C 2.965528 1.725484 -0.852973
C 4.951519 0.557426 -0.030579
C 4.373855 1.681563 -0.606416
C -1.517500 0.199076 -0.175017
C 4.676230 -1.765709 0.903827
C -2.564229 0.058681 0.775142
C -3.878483 -0.230830 0.365921
C -0.170215 0.492692 0.340184
C -1.795218 0.049943 -1.556679
C -4.166238 -0.359909 -1.035881
C -3.108427 -0.224443 -1.969191
C 3.821454 -2.829140 1.197314
C 2.426448 -2.701234 0.895635
C -4.657023 -0.306177 2.691389
C -6.672678 -0.328832 -0.929043
H 6.030319 0.525534 0.155922
H 4.964110 2.561148 -0.875029
H 5.750381 -1.829378 1.110349
H -2.309023 0.165952 1.833375
H -0.991122 0.166236 -2.286062
H -3.361490 -0.332839 -3.027760
H 4.195824 -3.755103 1.644020
H 1.739849 -3.530404 1.101492
H -4.295381 0.709549 2.941799
H -3.910149 -1.056781 3.013509
H -5.616618 -0.495074 3.194458
H -6.852629 -0.988075 -0.066773
H -7.434859 -0.481517 -1.708543
H -6.672575 0.723855 -0.595619


