%chk=000202036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202036

0 1
O 0.037826 5.011865 -0.065616
O -5.609305 -3.769302 -1.241705
N 1.443147 -0.247021 -1.009006
N -4.188540 -0.850090 0.568730
C -0.516537 -0.001241 0.146263
C -1.789831 -0.297051 0.849136
C 0.382188 -0.932092 -0.377387
C 0.006703 1.312234 -0.125768
C 1.249441 1.143250 -0.827558
C -2.949355 -0.421640 -0.160984
C 2.656782 -0.865398 -1.565316
C -0.460881 2.610116 0.158988
C 0.318316 -2.408983 -0.352056
C 2.028164 2.242153 -1.239425
C -5.137028 -1.554997 -0.348378
C -4.839135 0.310329 1.263092
C 3.619244 -1.338545 -0.497244
C 0.327094 3.672336 -0.256383
C 1.564682 3.509331 -0.949952
C -4.748421 -3.044743 -0.349988
C -5.797152 -0.193265 2.343701
C 4.163315 -2.628187 -0.579022
C 3.989177 -0.490723 0.556307
C 5.075683 -3.063317 0.386697
C 4.898195 -0.932441 1.521037
C 5.444194 -2.217611 1.437445
C -1.183633 5.340374 0.635155
H -1.709737 -1.233591 1.440646
H -2.011125 0.495282 1.593732
H -3.073740 0.531639 -0.716655
H -2.684872 -1.189471 -0.920278
H 2.351360 -1.710157 -2.228930
H 3.174288 -0.127265 -2.226261
H -1.399257 2.739239 0.681868
H 1.239194 -2.851805 0.060438
H -0.517045 -2.758952 0.275905
H 0.163151 -2.830148 -1.356034
H 2.966043 2.094215 -1.768083
H -5.135710 -1.162994 -1.387642
H -6.180717 -1.445163 0.015378
H -5.371476 0.988860 0.562522
H -4.036151 0.915672 1.743179
H 2.116799 4.401493 -1.236310
H -4.797785 -3.485468 0.660168
H -3.745158 -3.219048 -0.779695
H -6.674090 -0.692236 1.917403
H -5.298895 -0.923439 2.996409
H -6.151082 0.631332 2.970484
H 3.881794 -3.294369 -1.391894
H 3.559090 0.509765 0.629336
H 5.498736 -4.064395 0.320004
H 5.180661 -0.272736 2.340566
H 6.153220 -2.558661 2.189371
H -6.525061 -3.776245 -0.907365
H -2.051202 4.978876 0.075959
H -1.158597 4.938029 1.651926
H -1.150771 6.437201 0.644988


%chk=000202036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202036

0 1
O -0.145262 4.934719 -0.179426
O -5.950306 -3.549659 -1.358745
N 1.519139 -0.359324 -0.916217
N -4.309443 -0.699780 0.555636
C -0.496907 -0.153682 0.164430
C -1.805340 -0.474249 0.844567
C 0.452682 -1.068118 -0.316105
C -0.001973 1.174549 -0.146443
C 1.260700 1.019451 -0.811797
C -3.019210 -0.411523 -0.123905
C 2.728458 -0.957404 -1.484531
C -0.518820 2.479408 0.089506
C 0.446169 -2.569839 -0.276029
C 2.018459 2.133312 -1.238657
C -5.295983 -1.362444 -0.331129
C -4.852947 0.464863 1.301250
C 3.786747 -1.374279 -0.456235
C 0.240555 3.585413 -0.343844
C 1.497129 3.416322 -1.001552
C -5.059000 -2.886588 -0.390905
C -5.772158 0.054881 2.467918
C 4.746781 -2.357595 -0.803414
C 3.845614 -0.777033 0.826235
C 5.756627 -2.732381 0.110864
C 4.853630 -1.153370 1.743211
C 5.813492 -2.129399 1.389119
C -1.421254 5.184871 0.484486
H -1.787868 -1.482580 1.297088
H -1.972152 0.233672 1.680955
H -3.034073 0.582173 -0.635469
H -2.864946 -1.164175 -0.918837
H 2.447058 -1.835937 -2.095455
H 3.164766 -0.222626 -2.187769
H -1.480370 2.605842 0.596325
H 1.370002 -2.976061 0.177745
H -0.408185 -2.927589 0.321382
H 0.350882 -3.014620 -1.286743
H 2.989550 2.021166 -1.732801
H -5.281451 -0.956178 -1.370591
H -6.313590 -1.179515 0.066933
H -5.394901 1.170846 0.621497
H -3.994598 1.027493 1.713048
H 2.039903 4.314728 -1.309801
H -5.162597 -3.316583 0.626440
H -4.044641 -3.110440 -0.760578
H -6.659296 -0.502687 2.115536
H -5.222366 -0.592306 3.173065
H -6.134224 0.948250 3.010553
H 4.703775 -2.834761 -1.791386
H 3.100386 -0.024492 1.106047
H 6.491650 -3.495261 -0.169765
H 4.888763 -0.684562 2.733133
H 6.593570 -2.420152 2.101514
H -6.887607 -3.443709 -1.056688
H -2.266117 4.739750 -0.078839
H -1.424183 4.790194 1.520531
H -1.528522 6.279800 0.506537


