%chk=000239532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239532

0 1
O -2.667841 -0.413585 1.831539
O -1.757534 1.495493 -2.269314
O -4.204530 2.448532 0.225335
O -6.020377 1.434782 -0.652202
N -2.505108 0.492376 -0.306791
C -0.571399 0.652506 1.076012
C -0.265798 1.308554 -0.308335
C 0.431502 -0.514201 1.340228
C 0.950407 0.592885 -0.975877
C 0.325901 -1.476184 0.166717
C 2.089772 0.712826 0.025777
C 1.812506 0.119110 1.254528
C 0.609113 -0.886424 -1.061358
C -2.013915 0.155873 0.997377
C -1.540877 1.153814 -1.135887
C -0.028623 -2.851008 0.249756
C 3.336400 1.355326 -0.207749
C 2.760478 0.132736 2.303365
C 0.563654 -1.634327 -2.260731
C -3.893091 0.263833 -0.720816
C -0.065787 -3.603338 -0.958771
C 4.288461 1.367778 0.851321
C 3.976104 0.746734 2.099459
C 0.235800 -2.970174 -2.203888
C -0.352098 -3.501212 1.485096
C 3.670536 1.983339 -1.451974
C -0.412953 -4.993449 -0.901055
C 5.553686 2.009266 0.640109
C -4.838062 1.411345 -0.398573
C -0.683313 -4.830717 1.506634
C 4.888078 2.588346 -1.622202
C -0.711346 -5.588565 0.296809
C 5.843561 2.601769 -0.560977
C -5.041892 3.610871 0.578505
C -4.069612 4.566357 1.233575
H -0.489945 1.400337 1.897663
H -0.036615 2.392782 -0.193938
H 0.228423 -0.997599 2.317672
H 1.180063 1.041552 -1.963956
H 2.523254 -0.343869 3.252671
H 0.786518 -1.148581 -3.209343
H -3.930537 0.083937 -1.828173
H -4.286788 -0.661136 -0.220709
H 4.723582 0.765901 2.892402
H 0.199296 -3.567837 -3.114608
H -0.336966 -2.913172 2.403189
H 2.936515 1.965866 -2.257769
H -0.434725 -5.562782 -1.829422
H 6.276920 2.013003 1.454765
H -0.933305 -5.330426 2.441639
H 5.149174 3.066778 -2.565345
H -0.976465 -6.643673 0.348180
H 6.802544 3.090158 -0.728634
H -5.484388 3.997540 -0.355762
H -5.837737 3.253122 1.254338
H -4.573936 5.488656 1.547938
H -3.602268 4.118356 2.121230
H -3.256016 4.843622 0.549230


%chk=000239532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239532

0 1
O -2.628468 -0.358718 1.909528
O -1.724959 1.571832 -2.261840
O -4.258822 2.454834 0.232586
O -6.039630 1.280648 -0.709781
N -2.452366 0.537279 -0.268099
C -0.503479 0.684553 1.096014
C -0.205047 1.333296 -0.285621
C 0.500094 -0.514265 1.345408
C 1.006186 0.581647 -0.972854
C 0.335105 -1.487149 0.176331
C 2.170765 0.705130 0.012906
C 1.894369 0.106959 1.253856
C 0.617603 -0.892857 -1.064859
C -1.960005 0.218946 1.020623
C -1.503975 1.196764 -1.086488
C -0.059280 -2.863891 0.259829
C 3.428043 1.350234 -0.227978
C 2.853767 0.117407 2.304412
C 0.524828 -1.636925 -2.274912
C -3.815953 0.252122 -0.694478
C -0.132858 -3.626370 -0.976979
C 4.408438 1.355053 0.847197
C 4.093374 0.730094 2.098821
C 0.163824 -2.985767 -2.225680
C -0.387736 -3.525209 1.491400
C 3.770056 1.990188 -1.467752
C -0.507738 -5.010101 -0.923748
C 5.677291 1.989555 0.632813
C -4.830799 1.364217 -0.402244
C -0.752664 -4.872678 1.507908
C 5.013212 2.601697 -1.642427
C -0.809611 -5.625419 0.291750
C 5.977765 2.601713 -0.584625
C -5.190073 3.586884 0.551175
C -4.359382 4.654201 1.253419
H -0.403246 1.403683 1.927019
H 0.048105 2.404216 -0.200621
H 0.304904 -0.964521 2.329968
H 1.200750 1.019000 -1.963345
H 2.618231 -0.356964 3.263791
H 0.737801 -1.149281 -3.232420
H -3.821801 0.075630 -1.784217
H -4.166886 -0.661562 -0.183625
H 4.845557 0.740048 2.896358
H 0.099935 -3.575304 -3.147800
H -0.366168 -2.962899 2.430311
H 3.046276 1.998714 -2.289452
H -0.556474 -5.578491 -1.860294
H 6.411470 1.986346 1.447450
H -1.003622 -5.359490 2.456633
H 5.256374 3.084876 -2.595116
H -1.096317 -6.682292 0.320759
H 6.949696 3.083505 -0.736820
H -5.630258 3.942388 -0.397567
H -6.003394 3.191045 1.185173
H -5.001514 5.516729 1.508832
H -3.919650 4.261494 2.186063
H -3.543244 5.011026 0.602210


