%chk=000196532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196532

0 1
P 4.080905 -0.162003 2.852302
O 2.795692 1.519785 -0.973298
O 0.735062 3.452318 -2.344147
O 0.929661 3.957738 0.103534
O 3.395068 1.096136 2.076844
O 2.093564 -4.780524 -1.574332
O 2.816341 -0.885054 3.636142
O 4.218869 -1.301815 1.664364
O 5.267489 0.179332 3.623919
N 1.464321 -0.147117 -1.930389
N 0.448579 -2.214353 -2.133009
N 3.749876 -0.999916 -1.268076
N -0.932406 -0.205944 -2.626383
N 3.847934 -3.415416 -1.008350
N 5.785459 -2.079305 -0.618336
C 1.783576 1.300860 -1.972740
C 0.615371 2.254955 -1.601913
C 0.815280 2.545976 -0.083254
C 2.211951 1.992427 0.276859
C 2.191917 0.850413 1.298566
C 2.417351 -1.140524 -1.645781
C 0.252614 -0.890389 -2.235169
C 1.777683 -2.399277 -1.763711
C 2.505869 -3.655414 -1.483018
C 4.418950 -2.230015 -0.945865
C -1.982921 -0.080298 -1.648331
C -3.256612 0.313482 -2.106407
C -1.735361 -0.221088 -0.271703
C -4.264684 0.579251 -1.182906
C -2.758430 0.041570 0.639957
C -4.024855 0.450703 0.196200
C -5.101340 0.733383 1.169068
C -5.730887 1.988378 1.179279
C -5.498394 -0.252928 2.086172
C -6.746118 2.252319 2.102212
C -6.516160 0.017175 3.004372
C -7.140323 1.268849 3.015211
H 2.280448 1.561096 -2.941328
H -0.399140 1.886896 -1.874025
H -0.012088 2.151043 0.539669
H 2.918251 2.802846 0.601697
H 1.335032 0.921979 1.999108
H 2.209478 -0.143230 0.810648
H 1.500116 4.000008 -2.010984
H 0.090768 4.406251 -0.171197
H 4.179124 -0.075113 -1.173238
H -1.257293 -0.506097 -3.559469
H -3.458284 0.410849 -3.171732
H -0.769340 -0.571819 0.085158
H 6.256920 -2.962266 -0.408919
H 5.997294 -1.370042 0.081683
H -5.253607 0.880614 -1.533046
H -2.573188 -0.076810 1.708407
H 2.810216 -0.903939 4.623491
H 3.753369 -2.175660 1.810374
H -5.424788 2.756083 0.471214
H -5.019595 -1.231104 2.073614
H -7.232013 3.226888 2.109569
H -6.825286 -0.750950 3.712036
H -7.932685 1.476505 3.731883


%chk=000196532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196532

0 1
P 5.358052 0.531322 2.330587
O 2.696897 1.160075 -0.447201
O 0.774803 3.327475 -1.530202
O 0.191736 3.262345 1.133142
O 4.130949 1.751040 2.261231
O 1.957991 -4.951142 -2.417940
O 4.832860 -0.552338 3.592266
O 5.010445 -0.402193 1.006791
O 6.790417 1.160798 2.556976
N 1.308480 -0.352404 -1.670869
N 0.387356 -2.269497 -2.559964
N 3.464621 -1.375660 -0.896467
N -0.945829 -0.233656 -2.735228
N 3.663768 -3.751643 -1.307054
N 5.396976 -2.549984 -0.137061
C 1.651101 1.095521 -1.484318
C 0.504250 1.997844 -0.990585
C 0.698897 2.017480 0.552352
C 2.234585 1.988412 0.705377
C 2.717158 1.396993 2.025710
C 2.223549 -1.388247 -1.502048
C 0.190665 -0.960795 -2.349097
C 1.657074 -2.561462 -2.042657
C 2.365988 -3.850169 -1.974844
C 4.101223 -2.607018 -0.841947
C -2.051906 -0.018318 -1.866565
C -3.165110 0.735100 -2.325538
C -2.056614 -0.502981 -0.531580
C -4.246984 0.999112 -1.466191
C -3.144064 -0.223035 0.319111
C -4.262368 0.537581 -0.119617
C -5.406385 0.834525 0.788205
C -6.132326 2.053337 0.673292
C -5.805221 -0.088160 1.795652
C -7.215707 2.338997 1.531035
C -6.886279 0.197755 2.656359
C -7.598448 1.413198 2.529369
H 2.068011 1.492333 -2.426738
H -0.495308 1.653000 -1.288414
H 0.223825 1.127489 1.010622
H 2.638113 3.010582 0.587158
H 2.147841 1.872061 2.846096
H 2.562028 0.301527 2.052769
H 0.501045 3.983229 -0.830339
H -0.756212 3.154583 1.397682
H 3.828379 -0.555411 -0.358216
H -1.143743 -0.213264 -3.737736
H -3.181890 1.109652 -3.355964
H -1.227809 -1.124006 -0.174513
H 5.547497 -3.456319 0.332115
H 6.172811 -2.388709 -0.801313
H -5.107862 1.553102 -1.856237
H -3.117904 -0.597420 1.348904
H 5.204094 -0.326830 4.483263
H 5.345401 -1.438893 0.686206
H -5.830314 2.794631 -0.075721
H -5.289278 -1.051237 1.882706
H -7.755921 3.286677 1.426489
H -7.181379 -0.533221 3.417475
H -8.439427 1.633931 3.195720


