%chk=000230230.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230230

0 1
O 3.557005 1.000016 1.184879
O -3.662388 0.953452 0.892800
O 2.726671 1.387308 -0.887635
O -3.842348 -0.106944 -1.103054
O 1.233855 -3.419373 0.615795
N 0.018389 -1.894362 -0.361218
N 0.136171 -3.048964 0.298574
C 1.160228 -1.011359 -0.736852
C -1.357705 -1.442165 -0.699945
C 1.817230 -0.404152 0.510474
C -1.830490 -0.350892 0.271636
C 2.713723 0.741404 0.134481
C -3.200642 0.137779 -0.109354
C 4.538448 2.078062 1.036443
C -4.976066 1.581341 0.723332
C 5.689789 1.608952 0.173519
C -4.870361 2.745795 -0.237208
H 1.910083 -1.618950 -1.298682
H 0.818930 -0.208898 -1.429783
H -1.378713 -1.066786 -1.750258
H -2.057575 -2.313577 -0.667109
H 2.390926 -1.186361 1.065305
H 1.059765 -0.050442 1.243058
H -1.126687 0.510852 0.286266
H -1.838830 -0.728373 1.319456
H 4.025818 2.963336 0.620631
H 4.820849 2.242509 2.092712
H -5.690112 0.810234 0.383517
H -5.189622 1.888267 1.763868
H 6.091125 0.648167 0.521977
H 5.374358 1.469204 -0.871673
H 6.512884 2.333570 0.173505
H -4.058767 3.430025 0.041953
H -4.667777 2.400833 -1.262712
H -5.800265 3.326892 -0.266299


%chk=000230230-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230230

0 1
O 3.686854 0.941326 1.205407
O -3.725713 1.038197 0.905193
O 2.735684 1.359001 -0.885127
O -3.936850 -0.239128 -1.039385
O 1.387945 -3.503714 0.288771
N -0.008524 -1.880332 -0.376763
N 0.155698 -3.165026 0.111226
C 1.148822 -1.021334 -0.710676
C -1.398901 -1.469269 -0.633692
C 1.868564 -0.467188 0.540916
C -1.854842 -0.322067 0.294111
C 2.784856 0.691111 0.176082
C -3.266736 0.132565 -0.047792
C 4.642933 2.078713 1.002135
C -5.092226 1.615070 0.681740
C 5.875529 1.617035 0.220962
C -5.019606 2.833038 -0.242400
H 1.863731 -1.627112 -1.297867
H 0.793164 -0.192523 -1.344421
H -1.511474 -1.161808 -1.689438
H -2.025551 -2.362928 -0.478456
H 2.444527 -1.260172 1.044619
H 1.132700 -0.095379 1.280522
H -1.187509 0.556808 0.200429
H -1.821895 -0.630698 1.354465
H 4.112707 2.891643 0.475314
H 4.892941 2.387725 2.029366
H -5.739102 0.825857 0.260213
H -5.426076 1.881330 1.696920
H 6.362670 0.762678 0.721595
H 5.602013 1.322896 -0.806059
H 6.607002 2.444040 0.158841
H -4.323931 3.591020 0.156987
H -4.690690 2.540423 -1.253663
H -6.020815 3.294604 -0.327675


