%chk=000257317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257317

0 1
O -1.226401 1.351229 -2.032614
O -1.635741 -1.962292 1.429108
O -4.300266 1.732719 1.312813
N -2.739809 1.523141 -0.371211
N -2.980357 -0.158425 1.324638
C -1.333765 -0.577401 -0.553114
C 0.204128 -0.661539 -0.441707
C 0.880704 0.504972 0.311205
C -1.881564 -1.566428 -1.625487
C -1.712969 0.818678 -1.061805
C -1.941428 -0.980194 0.792654
C 2.384814 0.315714 0.215679
C 0.438689 0.617891 1.772377
C -1.449049 -3.010588 -1.419110
C -3.417216 1.084107 0.797739
C 3.137238 1.165266 -0.608860
C 3.032756 -0.701269 0.932842
C 4.521597 1.000861 -0.710729
C 4.416714 -0.862296 0.828379
C 5.164359 -0.012180 0.007084
H 0.473199 -1.626425 0.041608
H 0.630454 -0.709721 -1.468068
H 0.611875 1.464732 -0.205364
H -1.542619 -1.220589 -2.627815
H -2.989390 -1.505867 -1.641138
H 1.145188 1.230797 2.349129
H -0.541135 1.094411 1.868406
H 0.389657 -0.359742 2.268686
H -0.380948 -3.155810 -1.622428
H -1.628545 -3.359054 -0.389977
H -1.999748 -3.683337 -2.088721
H -3.019632 2.445904 -0.744838
H -3.435143 -0.472510 2.198486
H 2.645910 1.956026 -1.174120
H 2.458310 -1.365628 1.576275
H 5.099709 1.664642 -1.351705
H 4.914011 -1.652201 1.388963
H 6.241909 -0.138694 -0.072563


%chk=000257317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257317

0 1
O -1.259914 1.516179 -1.869156
O -1.485776 -1.920511 1.543767
O -4.718940 1.396248 1.232229
N -2.977522 1.399945 -0.329496
N -3.113413 -0.303474 1.299046
C -1.340611 -0.503789 -0.469462
C 0.216510 -0.578105 -0.437246
C 0.966190 0.592515 0.270831
C -1.904296 -1.499651 -1.583306
C -1.815980 0.881062 -0.936327
C -1.940230 -0.960200 0.869842
C 2.473950 0.326374 0.192484
C 0.505912 0.833432 1.732563
C -1.450634 -2.966048 -1.449236
C -3.682414 0.864544 0.763714
C 3.302746 1.126324 -0.633730
C 3.072071 -0.733662 0.924462
C 4.692624 0.881904 -0.725285
C 4.459460 -0.981034 0.837047
C 5.276531 -0.173829 0.010737
H 0.482980 -1.531405 0.052583
H 0.575957 -0.626953 -1.481434
H 0.764297 1.515309 -0.306483
H -1.568453 -1.086930 -2.553340
H -3.011794 -1.449685 -1.574012
H 1.119910 1.623923 2.199069
H -0.547994 1.168626 1.779580
H 0.595277 -0.079554 2.347248
H -0.359200 -3.068307 -1.571898
H -1.723953 -3.397415 -0.471811
H -1.934414 -3.567437 -2.240403
H -3.345029 2.279932 -0.706777
H -3.570415 -0.674781 2.138661
H 2.854126 1.945431 -1.209577
H 2.453573 -1.366476 1.573136
H 5.316645 1.513235 -1.368182
H 4.904333 -1.801589 1.411741
H 6.353387 -0.365245 -0.056883


