%chk=000209618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209618

0 1
O -0.005221 3.021524 -1.448919
O 2.550469 2.712156 -2.050747
N -1.113621 1.264369 1.612289
N 1.288574 0.826927 1.481376
N -1.400652 -6.185229 2.678629
C -0.064182 0.384612 0.976623
C -0.506125 1.695285 2.914550
C 1.030500 1.524172 2.784840
C -1.519083 2.444892 0.777236
C 2.026681 1.682639 0.498101
C -0.337901 -1.056732 1.396869
C -1.954928 2.015890 -0.596573
C 2.661286 0.840483 -0.579235
C -1.662053 -1.528034 1.393640
C 0.704527 -1.933349 1.729761
C -1.147225 2.308937 -1.719758
C 2.945408 1.393934 -1.845847
C -1.942224 -2.852695 1.725501
C 0.435394 -3.260972 2.063948
C -3.144537 1.316728 -0.813159
C 3.044111 -0.488919 -0.368075
C -0.890789 -3.722712 2.062015
C -1.497033 1.913355 -3.016089
C 3.580873 0.675549 -2.863786
C -3.515156 0.918712 -2.104495
C 3.673197 -1.231742 -1.374114
C -2.694831 1.214153 -3.196054
C 3.942185 -0.652573 -2.616003
C -1.173069 -5.085007 2.403240
H -0.106066 0.423706 -0.144969
H -0.912754 1.015229 3.694649
H -0.790620 2.722418 3.200336
H 1.561616 2.488579 2.871413
H 1.423010 0.860587 3.584481
H -0.715748 3.215600 0.697143
H -2.373777 2.928528 1.306661
H 2.841562 2.223519 1.035477
H 1.379918 2.471558 0.034395
H -2.476840 -0.844816 1.141153
H 1.740219 -1.570641 1.725994
H -2.970612 -3.213369 1.725258
H 1.249048 -3.936836 2.325616
H -3.783373 1.073471 0.037577
H 2.838803 -0.952491 0.607022
H -0.858564 2.145226 -3.861430
H 3.788992 1.132683 -3.825604
H -4.444671 0.374124 -2.254381
H 3.954627 -2.265846 -1.183251
H -2.986646 0.898478 -4.197656
H 4.434799 -1.232125 -3.396068
H 0.663525 2.985151 -2.193404
H 2.993776 3.096915 -2.846274


%chk=000209618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209618

0 1
O -0.015489 3.279274 -1.327836
O 2.313860 2.403294 -2.300057
N -1.126945 1.242143 1.655137
N 1.286143 1.009487 1.537139
N -1.101179 -6.322555 2.386588
C -0.019246 0.471133 1.002544
C -0.541962 1.555862 2.995637
C 0.956931 1.880930 2.710330
C -1.558599 2.488849 0.917422
C 2.179139 1.669199 0.542233
C -0.214405 -1.020329 1.315680
C -1.999413 2.180581 -0.501172
C 2.661448 0.717832 -0.549587
C -1.286796 -1.711960 0.695113
C 0.620827 -1.720780 2.216394
C -1.180725 2.552120 -1.604653
C 2.757162 1.095086 -1.912945
C -1.517238 -3.073157 0.960091
C 0.392846 -3.080884 2.506532
C -3.201669 1.479454 -0.761543
C 3.093899 -0.592068 -0.217745
C -0.677333 -3.771281 1.875087
C -1.558042 2.220302 -2.930822
C 3.262402 0.221127 -2.901953
C -3.587042 1.142952 -2.078538
C 3.606389 -1.479691 -1.186212
C -2.756259 1.511821 -3.163586
C 3.695232 -1.070658 -2.536432
C -0.909309 -5.164164 2.154693
H -0.076784 0.607486 -0.092285
H -0.626543 0.663441 3.641674
H -1.081331 2.388730 3.475009
H 1.078995 2.957116 2.455203
H 1.604165 1.657187 3.578542
H -0.762643 3.260640 0.884870
H -2.409508 2.895664 1.495369
H 3.068161 2.024553 1.101446
H 1.701171 2.564338 0.093665
H -1.945203 -1.169556 0.007225
H 1.453491 -1.177574 2.675216
H -2.340566 -3.604810 0.472159
H 1.037071 -3.615961 3.211941
H -3.827835 1.184093 0.088702
H 3.014063 -0.900041 0.828971
H -0.922920 2.529753 -3.769289
H 3.309244 0.542094 -3.951058
H -4.521944 0.601856 -2.258728
H 3.929804 -2.483320 -0.892301
H -3.045618 1.258347 -4.189802
H 4.087165 -1.749714 -3.300807
H 0.782770 3.004964 -1.879593
H 2.684966 2.642795 -3.183767


