%chk=000188564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188564

0 1
O -2.377664 -0.950009 1.912071
O -3.641505 1.785642 0.721153
N -2.461753 -0.976475 -0.373358
N -1.407985 1.926071 1.270787
C 0.327594 0.379042 0.550491
C -3.650019 -1.882473 -0.345714
C -2.295050 -0.244731 -1.659435
C 1.409023 1.425206 0.641880
C 0.807983 -0.984195 0.130122
C -4.935708 -1.133983 -0.728787
C -3.576226 0.494664 -2.080183
C -4.784112 -0.451100 -2.094299
C 1.843199 1.920141 -0.746807
C 1.683388 -1.642745 1.209975
C 3.208245 2.623482 -0.717136
C 2.571368 -2.758249 0.640380
C 4.357332 1.699275 -0.287594
C 3.615031 -2.248226 -0.364400
C 4.654471 0.597082 -1.313461
C 4.712359 -1.400040 0.293074
C 5.489736 -0.548718 -0.722257
C -0.969916 0.634618 0.832141
C -2.032954 -0.446784 0.854018
C -2.726764 2.401364 1.233406
H -3.746241 -2.323256 0.674990
H -3.450560 -2.716582 -1.051759
H -2.018304 -1.000576 -2.429395
H -1.447433 0.469138 -1.586624
H 1.111478 2.284609 1.272763
H 2.290243 0.978090 1.164758
H -0.027858 -1.665767 -0.126872
H 1.395707 -0.879561 -0.811233
H -5.156177 -0.366374 0.045638
H -5.792009 -1.830310 -0.731438
H -3.434346 0.960382 -3.070297
H -3.773448 1.323956 -1.363217
H -4.669428 -1.209278 -2.891053
H -5.702500 0.116122 -2.335810
H 1.076527 2.603612 -1.157178
H 1.892408 1.061970 -1.449852
H 1.034665 -2.049794 2.010568
H 2.323789 -0.878479 1.697941
H 3.421287 3.042360 -1.720180
H 3.166533 3.492775 -0.032778
H 3.077716 -3.280626 1.475331
H 1.937969 -3.523955 0.150967
H 5.269063 2.299972 -0.109922
H 4.105945 1.235169 0.690945
H 4.072110 -3.106530 -0.891546
H 3.102438 -1.650148 -1.148595
H 5.180826 1.029231 -2.184964
H 3.701609 0.186698 -1.708737
H 5.413832 -2.057203 0.840636
H 4.262708 -0.735444 1.059853
H 5.858123 -1.192837 -1.544146
H 6.396006 -0.138317 -0.236391
H -0.675150 2.508871 1.683543
H -2.839198 3.397128 1.695187


%chk=000188564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188564

0 1
O -2.464537 -0.728166 2.063730
O -3.488343 2.304363 0.498918
N -2.594009 -0.800482 -0.267369
N -1.398381 2.005468 1.522229
C 0.282303 0.541573 0.498020
C -3.599350 -1.889266 -0.222008
C -2.409595 -0.177191 -1.597750
C 1.381992 1.594751 0.606780
C 0.731841 -0.832455 0.015377
C -4.967571 -1.398151 -0.747820
C -3.759445 0.331062 -2.161824
C -4.821988 -0.793144 -2.164333
C 1.967778 2.037203 -0.770587
C 1.571868 -1.611428 1.075232
C 3.381941 2.669827 -0.665189
C 2.420113 -2.761098 0.468535
C 4.499228 1.682294 -0.231121
C 3.569142 -2.296015 -0.466916
C 4.831342 0.587305 -1.278218
C 4.708611 -1.525745 0.251736
C 5.573217 -0.645394 -0.691806
C -1.015927 0.781055 0.872126
C -2.095663 -0.296903 0.920300
C -2.615526 2.638578 1.346507
H -3.668393 -2.232389 0.822743
H -3.235341 -2.726904 -0.853721
H -1.975331 -0.934975 -2.285174
H -1.694759 0.654581 -1.504201
H 1.031277 2.502010 1.132440
H 2.205542 1.178551 1.219633
H -0.135877 -1.451169 -0.271790
H 1.346916 -0.705239 -0.895948
H -5.362469 -0.633064 -0.053089
H -5.678897 -2.246433 -0.754062
H -3.595557 0.713943 -3.188034
H -4.097887 1.172686 -1.531676
H -4.521125 -1.591787 -2.875844
H -5.793582 -0.398356 -2.516499
H 1.271194 2.760388 -1.237151
H 2.009702 1.169856 -1.455143
H 0.883235 -2.019372 1.839582
H 2.241778 -0.911832 1.610976
H 3.649392 3.107551 -1.648711
H 3.346155 3.515152 0.052816
H 2.850572 -3.359439 1.297561
H 1.750197 -3.444267 -0.093030
H 5.420878 2.256043 -0.006612
H 4.207556 1.203767 0.724206
H 3.999738 -3.180877 -0.977565
H 3.146376 -1.665242 -1.273032
H 5.448721 1.035237 -2.082836
H 3.900326 0.245060 -1.770850
H 5.363603 -2.254431 0.770364
H 4.283063 -0.886724 1.049768
H 5.946042 -1.274226 -1.526350
H 6.469699 -0.294409 -0.140316
H -0.777194 2.384486 2.241112
H -2.746186 3.497689 2.043085


