%chk=000287878.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287878

0 1
O -4.734266 0.449838 0.029555
O 1.974042 2.025844 0.490281
O 4.676646 0.919052 0.349100
O 4.805052 -2.032567 0.254212
O -3.736851 -1.602304 -0.262466
N -2.526291 0.393852 0.165369
N -1.295929 -0.213654 0.115189
C -6.129408 -0.064283 -0.141139
C -6.402150 -1.076139 0.960743
C -6.907246 1.237220 0.034766
C -6.253351 -0.649287 -1.539285
C 1.089904 -0.119605 0.269501
C -3.664889 -0.416851 -0.052680
C 2.251698 0.688661 0.364974
C 3.540228 0.113078 0.304513
C 3.656692 -1.293317 0.241828
C 1.247420 -1.512241 0.141332
C 2.504319 -2.100928 0.146078
C -0.231029 0.518468 0.313734
C 2.999980 2.906521 1.023186
C 5.103972 1.342107 -0.979580
C 6.059236 -1.387967 0.600526
H -6.177406 -0.667215 1.952716
H -7.447162 -1.401911 0.960651
H -5.777726 -1.977306 0.839207
H -6.612386 1.982745 -0.714676
H -6.717532 1.685837 1.018191
H -7.984993 1.069340 -0.059401
H -5.628494 -1.551380 -1.651760
H -7.284564 -0.937149 -1.767045
H -5.924710 0.060498 -2.307356
H 0.352299 -2.140976 0.052958
H 2.622306 -3.181311 0.079633
H -0.214323 1.603310 0.516458
H -2.653186 1.399205 0.331479
H 3.597531 2.406307 1.792633
H 3.632682 3.243593 0.197950
H 2.402196 3.725342 1.439391
H 5.982594 1.955291 -0.757724
H 5.363739 0.470045 -1.586243
H 4.314594 1.926023 -1.461297
H 6.675848 -2.243595 0.900530
H 6.459017 -0.892972 -0.288093
H 5.926695 -0.674419 1.421161


%chk=000287878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287878

0 1
O -4.661368 0.474713 -0.033490
O 2.153018 2.051816 0.105065
O 4.791410 0.960711 0.066627
O 5.085781 -1.940613 0.007320
O -3.724801 -1.713275 -0.097544
N -2.433175 0.270958 -0.002292
N -1.209243 -0.367967 -0.001017
C -6.110173 0.008071 -0.079813
C -6.408410 -0.858629 1.160358
C -6.874575 1.342497 -0.034091
C -6.360547 -0.744228 -1.402223
C 1.201073 -0.192151 0.047967
C -3.620271 -0.469768 -0.050333
C 2.348164 0.650143 0.113798
C 3.660382 0.102671 0.089694
C 3.835044 -1.308759 0.072313
C 1.402919 -1.601258 -0.015606
C 2.692673 -2.149626 0.013217
C -0.137580 0.401121 0.043695
C 2.691818 2.778394 1.280435
C 5.006639 1.599501 -1.256076
C 6.125444 -1.520932 0.974696
H -6.143778 -0.313952 2.084163
H -7.488729 -1.090446 1.194429
H -5.844207 -1.803880 1.127948
H -6.602647 1.975721 -0.896192
H -6.640742 1.893827 0.893099
H -7.962445 1.153272 -0.065785
H -5.778200 -1.678191 -1.440966
H -7.434552 -0.991903 -1.486147
H -6.084452 -0.111294 -2.264303
H 0.518816 -2.243590 -0.068498
H 2.855032 -3.230929 -0.018523
H -0.185368 1.505079 0.072268
H -2.520723 1.297225 0.027351
H 2.179924 2.440821 2.201516
H 3.779920 2.619011 1.370862
H 2.468343 3.839692 1.092270
H 5.897329 2.235537 -1.136583
H 5.190958 0.826969 -2.025175
H 4.130176 2.212944 -1.532612
H 7.002543 -2.139415 0.731230
H 6.355302 -0.448605 0.869463
H 5.788076 -1.736484 2.006586


