%chk=000207813.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207813

0 1
O -0.464569 -2.308445 0.691758
O 1.012442 0.570928 1.369378
O 0.131516 1.847547 -0.300765
N -1.056548 0.012591 0.598778
C -0.894732 -1.196890 1.484414
C -2.275118 0.187806 -0.147519
C -3.440830 -0.476965 0.315612
C -2.205207 -1.659618 2.056675
C -3.378866 -1.329313 1.501641
C -2.339406 1.003765 -1.292182
C 0.019397 0.903752 0.453255
C -4.646480 -0.308445 -0.385758
C -3.548459 1.152918 -1.967261
C -4.703952 0.499304 -1.519290
C 2.266999 1.319747 1.263895
C 3.163677 0.625924 0.278864
C 0.896050 -2.249659 0.211617
C 4.159663 -0.253677 0.725395
C 2.997689 0.855785 -1.095244
C 4.990379 -0.893177 -0.199554
C 3.828341 0.212271 -2.015308
C 4.826112 -0.661118 -1.568828
H -0.131462 -0.958574 2.269978
H -2.117193 -2.310450 2.923520
H -4.328204 -1.677963 1.912045
H -1.449333 1.528575 -1.654353
H -5.544147 -0.819141 -0.036838
H -3.592863 1.785149 -2.854555
H -5.641855 0.622813 -2.056225
H 2.626936 1.274302 2.308801
H 2.047436 2.368377 0.981447
H 1.580401 -1.875061 0.979249
H 0.933913 -1.618610 -0.682239
H 1.108804 -3.294942 -0.039578
H 4.289625 -0.440910 1.789983
H 2.211641 1.534841 -1.439884
H 5.766568 -1.573168 0.147907
H 3.698586 0.392342 -3.081741
H 5.474652 -1.159711 -2.287488


%chk=000207813-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207813

0 1
O -0.734690 -2.522695 0.755164
O 1.044729 0.419696 1.361095
O 0.068480 1.811971 -0.245299
N -1.078287 -0.092236 0.586957
C -1.003216 -1.278363 1.495892
C -2.287029 0.115379 -0.170734
C -3.506202 -0.389170 0.385726
C -2.304216 -1.501392 2.218617
C -3.480343 -1.098047 1.664270
C -2.310085 0.789976 -1.415377
C 0.003124 0.795243 0.491361
C -4.723094 -0.183169 -0.314487
C -3.532956 0.972833 -2.095883
C -4.746004 0.491767 -1.549274
C 2.288954 1.264390 1.274554
C 3.260485 0.702193 0.260020
C 0.639060 -2.625551 0.234031
C 4.232508 -0.253609 0.651445
C 3.206467 1.118806 -1.095683
C 5.134220 -0.789863 -0.294435
C 4.107367 0.582858 -2.042539
C 5.072512 -0.372106 -1.644634
H -0.173952 -1.085856 2.197133
H -2.259079 -2.058789 3.158234
H -4.435825 -1.313074 2.157138
H -1.387041 1.188287 -1.836980
H -5.652061 -0.568460 0.122787
H -3.533765 1.495859 -3.058465
H -5.691231 0.641306 -2.081384
H 2.685695 1.213289 2.300660
H 1.981259 2.293949 1.026657
H 1.387848 -2.504079 1.041702
H 0.836109 -1.870830 -0.551702
H 0.711542 -3.634764 -0.200198
H 4.282747 -0.576101 1.699030
H 2.450389 1.852047 -1.397912
H 5.884129 -1.524965 0.018320
H 4.059876 0.910817 -3.086874
H 5.773177 -0.784646 -2.379332


