%chk=000201322.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201322

0 1
O -1.563256 -1.759468 -0.915732
O -0.317989 1.116806 1.840552
O 1.388302 0.613703 -0.309805
N -5.360630 1.798357 1.124288
N 1.106031 5.338248 -1.543329
C 2.415333 -3.347359 -0.243592
C 3.499150 -2.660308 0.598239
C 1.011952 -2.937476 0.217045
C 4.906257 -3.003315 0.092679
C -0.080322 -3.572789 -0.650885
C 5.988280 -2.306477 0.929800
C -1.472321 -3.071562 -0.273124
C 7.392275 -2.640062 0.430441
C -2.518353 -0.912791 -0.354835
C -2.159417 -0.057828 0.707310
C -0.793460 -0.152276 1.323951
C -3.786951 -0.862780 -0.943526
C -3.099742 0.860867 1.171216
C -4.381341 0.924342 0.582715
C -4.721417 0.061333 -0.480846
C 0.001185 2.087502 0.900829
C 0.901913 1.892723 -0.183920
C -0.529758 3.356162 1.140819
C 1.234240 2.956660 -1.022585
C 0.694844 4.235915 -0.756876
C -0.186052 4.434853 0.323688
C 2.156772 0.298532 -1.499345
H 2.551188 -3.098756 -1.313692
H 2.528826 -4.446760 -0.177130
H 3.349330 -1.561955 0.588175
H 3.396394 -2.960200 1.659289
H 0.902336 -1.824020 0.178822
H 0.867533 -3.216802 1.277828
H 5.009691 -2.712041 -0.969782
H 5.060512 -4.099186 0.119164
H -0.047130 -4.675926 -0.572538
H 0.103314 -3.332139 -1.720248
H 5.889637 -2.601911 1.992881
H 5.833777 -1.209736 0.907731
H -1.619878 -2.971268 0.813409
H -2.276652 -3.691260 -0.704296
H 8.156266 -2.138406 1.035065
H 7.592198 -3.716535 0.477223
H 7.537367 -2.324608 -0.608778
H -0.807352 -0.754656 2.254542
H -0.041953 -0.574370 0.609200
H -4.023682 -1.535459 -1.766076
H -2.827614 1.525098 1.991663
H -5.708924 0.106175 -0.931637
H -6.104622 2.066208 0.495557
H -5.002565 2.593848 1.634652
H -1.208975 3.491880 1.982449
H 1.920225 2.820489 -1.850049
H -0.588592 5.419707 0.535238
H 1.463390 5.129553 -2.463292
H 0.498994 6.144414 -1.541314
H 3.084012 0.877225 -1.513162
H 1.551575 0.463582 -2.395124
H 2.359550 -0.772495 -1.354540


%chk=000201322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201322

0 1
O -1.343896 -1.590664 -0.521355
O -1.080891 1.798881 2.019425
O 1.437915 1.315228 0.859470
N -5.980040 1.540835 0.389683
N 0.976797 5.426597 -1.825510
C 2.571457 -3.615819 -0.210472
C 3.884168 -2.849794 0.069188
C 1.303984 -2.819028 0.171220
C 5.155571 -3.663177 -0.261965
C 0.000408 -3.587465 -0.138010
C 6.466053 -2.890224 0.011686
C -1.267392 -2.838524 0.279362
C 7.731816 -3.713158 -0.312163
C -2.507987 -0.808386 -0.258709
C -2.515292 0.161208 0.780036
C -1.294220 0.368456 1.662964
C -3.647342 -0.982160 -1.075520
C -3.680701 0.932903 0.983271
C -4.835526 0.765301 0.171544
C -4.803656 -0.205858 -0.871262
C -0.564883 2.638397 1.002280
C 0.725168 2.446448 0.421562
C -1.303591 3.777981 0.630772
C 1.227432 3.368761 -0.523242
C 0.466811 4.514698 -0.892177
C -0.806228 4.717146 -0.295608
C 2.768892 1.092557 0.296793
H 2.527113 -3.883169 -1.287143
H 2.584622 -4.576097 0.347560
H 3.889252 -1.909254 -0.521682
H 3.911290 -2.549286 1.138387
H 1.283591 -1.853438 -0.369461
H 1.336427 -2.573362 1.254072
H 5.128325 -3.970656 -1.328489
H 5.155243 -4.601626 0.331266
H 0.008962 -4.565414 0.387030
H -0.057688 -3.803197 -1.223065
H 6.488776 -2.578602 1.076186
H 6.468757 -1.955335 -0.585898
H -1.242103 -2.583056 1.361283
H -2.176110 -3.446636 0.086633
H 8.653923 -3.137871 -0.108985
H 7.769076 -4.637010 0.295591
H 7.747764 -4.012879 -1.377206
H -1.431700 -0.105863 2.651766
H -0.390667 -0.043374 1.184270
H -3.607068 -1.722073 -1.882603
H -3.669701 1.690328 1.776715
H -5.679036 -0.343329 -1.517928
H -6.801794 1.432037 -0.196177
H -6.000820 2.239684 1.125649
H -2.286491 3.918839 1.091571
H 2.213341 3.216671 -0.975264
H -1.404971 5.595791 -0.561767
H 1.879339 5.277574 -2.264896
H 0.433681 6.237669 -2.103413
H 3.449549 1.934424 0.531537
H 2.723797 0.944878 -0.800370
H 3.134195 0.173694 0.777969


