%chk=000209318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209318

0 1
O 0.135417 -2.482892 0.994049
O 5.037888 1.499344 0.397822
N -3.211293 0.319193 -0.391190
N -0.729514 -1.169446 -0.658882
C -3.065513 -1.034656 0.239068
C -1.890507 1.031400 -0.398240
C -2.041466 -1.869307 -0.555967
C -0.870849 0.202566 -1.210410
C -4.248879 1.138239 0.320204
C -5.647996 0.656920 -0.104388
C 0.275564 -1.507772 0.272268
C -6.740491 1.531855 0.502025
C 1.531126 -0.697702 0.239754
C 1.912481 0.012346 1.393313
C 2.352373 -0.700208 -0.892486
C 3.093042 0.742174 1.405739
C 3.549091 0.021720 -0.901968
C 3.904739 0.737224 0.249346
C 5.975742 1.548978 -0.705576
H -4.055827 -1.539455 0.202144
H -2.766389 -0.988258 1.308605
H -1.494688 1.229741 0.620310
H -2.032349 2.016776 -0.892791
H -1.895130 -2.861497 -0.068368
H -2.409452 -2.050119 -1.590626
H -1.221071 0.106251 -2.265341
H 0.108925 0.723245 -1.235573
H -4.148570 1.105257 1.425653
H -4.126467 2.203012 0.023842
H -5.718371 0.664124 -1.211446
H -5.796961 -0.398935 0.194948
H -6.708568 1.523559 1.597398
H -6.653003 2.575039 0.177287
H -7.735367 1.181532 0.202423
H 1.278244 -0.018855 2.281711
H 2.058993 -1.272062 -1.775569
H 3.412241 1.303027 2.281456
H 4.180685 0.011043 -1.783281
H 5.505593 2.000193 -1.583669
H 6.366989 0.549592 -0.917082
H 6.761587 2.200718 -0.300711


%chk=000209318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209318

0 1
O 0.208185 -2.287227 1.366088
O 5.540376 1.072506 0.286892
N -3.331334 0.365506 -0.360747
N -0.734342 -0.915782 -0.267738
C -3.151170 -0.929614 0.346059
C -2.086827 1.167078 -0.269951
C -1.978606 -1.717050 -0.268507
C -0.894318 0.411947 -0.898973
C -4.517929 1.129583 0.104406
C -5.862179 0.482588 -0.289265
C 0.329664 -1.316716 0.545728
C -7.061103 1.377221 0.093685
C 1.651854 -0.610529 0.404349
C 2.435247 -0.423326 1.576417
C 2.209565 -0.249117 -0.846351
C 3.714831 0.147681 1.506395
C 3.503910 0.308971 -0.937564
C 4.254122 0.519359 0.246853
C 6.161650 1.446826 -0.986412
H -4.070945 -1.531249 0.245156
H -2.958225 -0.775919 1.438301
H -1.830651 1.420819 0.791904
H -2.234713 2.116842 -0.817816
H -1.785789 -2.635735 0.308119
H -2.228055 -1.976021 -1.316084
H -1.085398 0.283281 -1.983150
H 0.024195 1.002907 -0.765713
H -4.495577 1.289031 1.214856
H -4.466031 2.133786 -0.361606
H -5.853345 0.296454 -1.380056
H -5.975620 -0.502637 0.203096
H -7.085615 1.569407 1.183157
H -7.008959 2.356142 -0.419384
H -8.018651 0.901697 -0.185298
H 2.025046 -0.752239 2.536476
H 1.646821 -0.437827 -1.767733
H 4.322304 0.304311 2.402657
H 3.913651 0.559939 -1.920362
H 5.572593 2.225972 -1.508121
H 6.283996 0.567114 -1.647519
H 7.149374 1.847924 -0.716444


