%chk=000216544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216544

0 1
O -7.100741 0.681869 -0.829328
O -7.840016 0.435355 1.412689
O 8.048531 -1.474822 0.502404
O 7.666472 -0.307518 2.649609
N -1.993109 -0.669193 -0.727983
N 0.369961 0.899227 -1.344980
N 4.998533 -0.187963 -1.051907
N 1.736011 1.907425 0.302296
N 3.017955 -0.749396 -2.063183
N 4.144929 1.556350 0.523273
C -0.775253 -1.316309 -1.322264
C -1.604218 0.497579 0.132341
C -0.015073 -0.277556 -2.171595
C -0.830997 1.526778 -0.714908
C -2.782465 -1.676380 0.057181
C 1.598858 0.978956 -0.718030
C -4.116679 -1.100151 0.470854
C 2.775930 0.264513 -1.121518
C 4.014936 0.617921 -0.471965
C 6.425628 -0.198822 -0.712272
C -4.916011 -0.454702 -0.510585
C -4.552485 -1.238261 1.789455
C 4.328796 -1.011090 -2.010789
C 6.693949 -1.032803 0.566293
C -6.134252 0.017603 -0.084373
C 2.966419 2.152019 0.845754
C -6.578558 -0.130017 1.264270
C -5.809573 -0.752182 2.220300
C 6.469454 -0.228722 1.867065
C -8.203413 0.961955 0.094624
H -0.093906 -1.756972 -0.562992
H -1.109872 -2.146915 -1.981580
H -1.001658 0.207323 1.019818
H -2.538471 0.967769 0.514710
H -0.669167 0.099987 -2.993654
H 0.867430 -0.746529 -2.662821
H -0.540449 2.401993 -0.088965
H -1.471800 1.912929 -1.541000
H -2.228800 -2.067660 0.939803
H -2.973215 -2.553950 -0.607349
H 7.016173 -0.632527 -1.554111
H 6.784237 0.851130 -0.581609
H -4.559882 -0.336995 -1.533090
H -3.919419 -1.733835 2.524370
H 4.859021 -1.740425 -2.607453
H 6.112958 -1.983087 0.551001
H 2.994471 2.915321 1.642755
H -6.140947 -0.866521 3.247867
H 6.344835 0.862380 1.697312
H 5.603266 -0.591892 2.442546
H -9.085526 0.411269 -0.257135
H -8.300733 2.051897 0.182034
H 8.652379 -0.803282 0.926968
H 7.786554 -1.222773 2.992946


%chk=000216544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216544

0 1
O -6.943042 1.218696 -1.095209
O -8.218372 0.720767 0.876832
O 8.613837 -0.778494 -0.206995
O 7.919196 -0.599231 2.465056
N -2.101281 -0.892734 -0.317519
N 0.409333 0.457998 -0.680456
N 5.101666 -0.087780 -1.172012
N 1.911870 1.869526 0.468548
N 3.069158 -0.930607 -1.814136
N 4.357564 1.732055 0.328311
C -0.925478 -1.617264 -0.858586
C -1.680066 0.181686 0.617098
C 0.022813 -0.644860 -1.587666
C -0.741833 1.176883 -0.089510
C -3.111324 -1.804920 0.271114
C 1.705353 0.806407 -0.394975
C -4.461579 -1.131233 0.497128
C 2.873791 0.156032 -0.929892
C 4.133849 0.685524 -0.520639
C 6.558958 0.082204 -1.075886
C -4.978426 -0.249314 -0.498441
C -5.217429 -1.413292 1.660400
C 4.403438 -1.038113 -1.928799
C 7.189784 -0.661185 0.122182
C -6.240538 0.297115 -0.273749
C 3.178505 2.262390 0.773970
C -6.992818 0.004447 0.885433
C -6.506180 -0.848016 1.877221
C 7.045721 0.071294 1.470983
C -8.281293 1.361466 -0.464142
H -0.353934 -2.144639 -0.052576
H -1.277543 -2.379764 -1.578409
H -1.159840 -0.240510 1.514182
H -2.579333 0.717876 0.968391
H -0.512786 -0.212309 -2.457008
H 0.923147 -1.167704 -1.945163
H -0.352384 1.929735 0.611860
H -1.297597 1.686579 -0.901814
H -2.761885 -2.254251 1.235381
H -3.235522 -2.646332 -0.440789
H 7.023014 -0.317422 -1.993735
H 6.786172 1.160312 -1.011908
H -4.382693 -0.013890 -1.384065
H -4.801621 -2.086026 2.419267
H 4.917478 -1.772185 -2.545912
H 6.735006 -1.676359 0.199151
H 3.260684 3.109816 1.461800
H -7.084885 -1.062726 2.779055
H 7.445849 1.094590 1.391908
H 5.996292 0.124885 1.811471
H -9.029989 0.830764 -1.082115
H -8.506794 2.432014 -0.338997
H 9.087620 -0.913186 0.659391
H 7.457367 -1.396414 2.828070


