%chk=000239108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239108

0 1
O -2.889052 3.193104 -1.043106
O -2.070971 5.221026 0.518140
N 5.685800 -0.119457 -0.657221
N -3.180699 -4.144468 -0.494252
C 0.275343 0.100747 1.343495
C 1.678900 0.037053 0.773158
C -0.587548 -1.048412 0.858935
C -0.373851 1.450423 1.083923
C 2.618808 -0.822716 1.363246
C -1.677241 -1.462199 1.641463
C 2.070446 0.804099 -0.332167
C -0.344334 -1.705957 -0.354296
C -1.354430 1.608470 0.086049
C 0.022929 2.548441 1.856709
C 4.316680 -0.135531 -0.242296
C -2.257559 -3.171321 0.006658
C 3.916207 -0.915494 0.867706
C -2.500818 -2.507006 1.230768
C 3.366174 0.722747 -0.838759
C -1.159205 -2.753986 -0.777914
C -1.929457 2.859258 -0.109006
C -0.547445 3.812949 1.661995
C -1.526508 3.969793 0.683094
C 6.464107 -1.360348 -0.382020
C 5.947996 0.385147 -2.034355
C -4.019536 -4.833564 0.527130
C -2.626367 -5.119461 -1.476383
C -3.542800 2.093994 -1.758944
C -4.611161 2.799097 -2.570384
H 0.367626 -0.005482 2.463350
H 2.331289 -1.433614 2.219106
H -1.889468 -0.956873 2.584098
H 1.355342 1.479511 -0.806085
H 0.497414 -1.399620 -0.978588
H -1.652269 0.753216 -0.517613
H 0.793600 2.429800 2.617485
H 4.623306 -1.582898 1.354968
H -3.340296 -2.795387 1.858813
H 3.637314 1.343477 -1.689301
H -0.943595 -3.238930 -1.727172
H -0.242030 4.669764 2.259822
H 6.099675 -2.244937 -0.926322
H 7.520994 -1.195319 -0.647132
H 6.436810 -1.578813 0.700291
H 5.498942 -0.229736 -2.829226
H 5.561759 1.415933 -2.125892
H 7.035746 0.437546 -2.203756
H -4.602836 -4.083284 1.089459
H -4.747093 -5.488779 0.021283
H -3.443524 -5.438450 1.244243
H -3.441357 -5.752679 -1.862679
H -2.208348 -4.573481 -2.340381
H -1.841746 -5.771664 -1.062912
H -2.782426 1.597992 -2.386411
H -3.957514 1.388898 -1.017937
H -2.769821 5.204968 -0.193865
H -5.165878 2.090549 -3.196611
H -5.332251 3.315277 -1.922038
H -4.173474 3.562890 -3.228262


%chk=000239108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000239108

0 1
O -2.943079 3.208370 -0.992074
O -2.195550 5.227220 0.604857
N 5.658722 -0.288624 -0.929292
N -3.130994 -4.358637 -0.261386
C 0.307717 0.064880 1.364731
C 1.719751 0.019729 0.755263
C -0.567342 -1.120804 0.920822
C -0.385007 1.424472 1.156223
C 2.679866 -0.884672 1.275832
C -1.644154 -1.550194 1.737870
C 2.115611 0.819096 -0.343582
C -0.373951 -1.804471 -0.303613
C -1.360519 1.613818 0.143219
C -0.027584 2.525823 1.972014
C 4.371598 -0.189453 -0.380602
C -2.295517 -3.299228 0.123059
C 3.973323 -0.995741 0.733560
C -2.491006 -2.609542 1.362579
C 3.405372 0.724933 -0.905100
C -1.210544 -2.867188 -0.702374
C -1.955346 2.877134 -0.034685
C -0.622008 3.795739 1.794217
C -1.588165 3.976959 0.789363
C 6.625532 -1.235364 -0.365634
C 6.033745 0.550698 -2.070944
C -4.205661 -4.806319 0.629851
C -2.883757 -5.064014 -1.522236
C -3.420114 2.135963 -1.885339
C -4.480481 2.747130 -2.797018
H 0.441114 -0.043071 2.462472
H 2.405208 -1.525268 2.124208
H -1.827642 -1.039188 2.692263
H 1.408556 1.544145 -0.762977
H 0.460557 -1.513991 -0.952290
H -1.653430 0.761552 -0.477270
H 0.731452 2.392366 2.751672
H 4.673671 -1.707815 1.180214
H -3.301186 -2.902166 2.037071
H 3.658676 1.373502 -1.749011
H -1.007220 -3.365494 -1.654957
H -0.352839 4.648335 2.424917
H 6.267800 -2.284133 -0.433248
H 7.574148 -1.166053 -0.921763
H 6.841929 -1.020931 0.701683
H 5.388185 0.361769 -2.954151
H 5.966815 1.632114 -1.830003
H 7.074272 0.333400 -2.360763
H -4.939619 -3.998622 0.830930
H -4.747047 -5.642941 0.159906
H -3.816576 -5.159126 1.608166
H -3.639228 -5.854900 -1.655238
H -2.949853 -4.382431 -2.395440
H -1.881942 -5.542555 -1.543371
H -2.562434 1.742032 -2.467522
H -3.836956 1.312067 -1.271629
H -2.846869 5.142523 -0.141551
H -4.870693 1.979156 -3.489302
H -5.323848 3.142950 -2.205410
H -4.055160 3.571364 -3.395083


