%chk=000230988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230988

0 1
O -0.442660 -3.113183 1.131324
O 0.180117 -3.446441 -0.910629
O 4.444061 -0.059134 0.531442
O 3.870649 1.831573 -0.330778
N 0.002665 -2.736451 0.062759
N 3.614842 0.704696 0.066979
C -2.076960 -0.615921 -0.333183
C -1.023664 2.266935 -0.412881
C -2.821130 0.583515 -0.970672
C -2.510201 1.889675 -0.252557
C -0.575347 -0.295127 -0.220327
C -0.113584 1.044986 -0.254137
C -2.584568 -0.874521 1.112930
C -0.670795 3.359867 0.636003
C -2.336185 -1.828317 -1.244435
C -0.789233 2.845054 -1.824699
C 0.394417 -1.304646 -0.050585
C 1.253321 1.303556 -0.165849
C 1.789328 -1.063948 0.039317
C -4.072253 -1.197033 1.196806
C -0.713974 2.869768 2.079257
C 2.204075 0.276642 -0.017642
C 2.723109 -2.208218 0.183692
H -3.912511 0.391696 -0.948768
H -2.552269 0.663621 -2.042883
H -3.151930 2.703548 -0.639569
H -2.767581 1.801031 0.824300
H -2.008956 -1.708557 1.570824
H -2.363265 0.014664 1.738024
H 0.331484 3.780544 0.418843
H -1.371600 4.209656 0.511706
H -3.319481 -1.762669 -1.728821
H -2.359784 -2.779166 -0.697401
H -1.597792 -1.916792 -2.050218
H -1.421619 3.719901 -2.010151
H -1.021329 2.105836 -2.600478
H 0.248659 3.158469 -1.979425
H 1.617920 2.343150 -0.210250
H -4.692369 -0.389595 0.790512
H -4.376537 -1.352191 2.239531
H -4.322361 -2.113884 0.649718
H -1.705606 2.484883 2.349063
H -0.478137 3.681990 2.777457
H 0.007813 2.064567 2.260933
H 2.624398 -2.695798 1.169097
H 2.561498 -2.983825 -0.586246
H 3.792627 -1.931305 0.109865


%chk=000230988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230988

0 1
O -0.390829 -3.275637 0.972395
O 0.262588 -3.440862 -1.202856
O 4.476003 -0.097960 0.709874
O 3.919318 1.905621 -0.211282
N 0.064127 -2.770518 -0.122351
N 3.619509 0.710096 0.180210
C -2.088083 -0.660583 -0.350799
C -1.036303 2.270147 -0.416511
C -2.818121 0.542848 -1.019056
C -2.535188 1.881626 -0.330692
C -0.572353 -0.329497 -0.252559
C -0.119820 1.034663 -0.247219
C -2.601356 -0.889788 1.124350
C -0.726997 3.373250 0.655796
C -2.419403 -1.900713 -1.239553
C -0.754958 2.886571 -1.824200
C 0.443802 -1.324888 -0.119198
C 1.260316 1.293659 -0.124650
C 1.839807 -1.103658 0.029354
C -4.121442 -1.120490 1.265623
C -0.740854 2.919177 2.131139
C 2.208494 0.268638 0.024534
C 2.828454 -2.243996 0.181684
H -3.903267 0.335023 -1.011036
H -2.521622 0.588260 -2.086098
H -3.133639 2.687384 -0.797781
H -2.857383 1.825670 0.725355
H -2.064167 -1.761742 1.540048
H -2.306579 -0.024774 1.749955
H 0.250928 3.843694 0.432912
H -1.482029 4.172530 0.510977
H -3.476302 -1.837254 -1.553462
H -2.301567 -2.863327 -0.717233
H -1.804741 -1.920301 -2.156332
H -1.335061 3.820230 -1.946347
H -1.039984 2.194474 -2.636386
H 0.314805 3.130800 -1.953036
H 1.632726 2.320542 -0.134593
H -4.711901 -0.237815 0.959715
H -4.368073 -1.330805 2.322433
H -4.463597 -1.985533 0.670107
H -1.718910 2.498255 2.428289
H -0.537726 3.777381 2.796989
H 0.030687 2.153558 2.328386
H 3.223531 -2.274034 1.211319
H 2.381036 -3.218679 -0.057706
H 3.703422 -2.098140 -0.472710


