%chk=000241798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241798

0 1
P 0.260211 0.171234 -0.390269
O 0.590573 0.561851 -1.797297
N 1.333242 -1.070303 0.270374
N 0.402385 1.502936 0.758530
N -1.349287 -0.468046 -0.182304
C 2.271168 -1.754927 -0.682615
C 1.396770 2.595521 0.496780
C 1.106566 -2.509845 -0.063806
C 1.576361 1.648422 1.671955
C 3.685631 -1.968049 -0.178593
C 0.894128 4.010723 0.713564
C -2.332691 0.213666 -1.082249
C -1.770079 -0.675780 1.235108
C -3.798834 -0.150856 -0.793409
C -2.438406 -2.059473 1.358303
C 4.626597 -0.886610 -0.701311
C 0.531689 4.674057 -0.611763
C -4.043166 -1.651273 -0.588593
C -3.893829 -2.076968 0.878858
H 2.231320 -1.505700 -1.761258
H 2.085314 2.515451 -0.363958
H 1.271276 -3.199800 0.770337
H 0.260985 -2.836887 -0.676943
H 1.321679 1.968768 2.687547
H 2.392079 0.918861 1.688955
H 3.703328 -1.977050 0.931727
H 4.033878 -2.970998 -0.498627
H 0.008755 4.005236 1.384389
H 1.674830 4.595636 1.239564
H -2.076086 -0.104198 -2.125176
H -2.248044 1.326322 -1.052940
H -0.894649 -0.645588 1.925161
H -2.461104 0.121028 1.588856
H -4.411950 0.209914 -1.643696
H -4.158191 0.412189 0.090147
H -2.393037 -2.387783 2.414041
H -1.848677 -2.799299 0.779912
H 5.641801 -1.020820 -0.312307
H 4.286268 0.113424 -0.404079
H 4.688386 -0.893458 -1.796359
H 0.093160 5.665070 -0.454770
H -0.199727 4.071348 -1.167994
H 1.405751 4.796009 -1.261855
H -3.341030 -2.233195 -1.218708
H -5.059771 -1.909725 -0.941235
H -4.511658 -1.423888 1.524821
H -4.303814 -3.098349 1.005386


%chk=000241798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241798

0 1
P 0.287819 0.124595 -0.872475
O 0.384349 0.268133 -2.476432
N 0.955414 -1.384034 -0.170804
N 1.220603 1.328444 0.085243
N -1.327457 0.228308 -0.273896
C 2.293209 -1.894517 -0.684732
C 1.237270 2.756539 -0.444273
C 1.009551 -2.592198 -1.092038
C 2.478682 1.894878 -0.557734
C 3.234168 -2.439828 0.375975
C 1.082137 3.847666 0.601251
C -2.420159 0.567909 -1.213182
C -1.612050 0.041409 1.167978
C -3.729071 -0.226717 -0.962059
C -1.993245 -1.413943 1.534332
C 3.967915 -1.308159 1.129642
C -0.396581 4.072964 0.987247
C -3.535402 -1.711901 -0.564189
C -3.340763 -1.912739 0.962210
H 2.765097 -1.294069 -1.477945
H 0.696976 2.919973 -1.389987
H 0.724851 -3.533372 -0.609632
H 0.669022 -2.453985 -2.126638
H 3.310540 2.038990 0.139757
H 2.742208 1.535510 -1.561178
H 2.648377 -3.047906 1.090700
H 3.965767 -3.117006 -0.109718
H 1.666983 3.567517 1.497614
H 1.519677 4.785781 0.203669
H -2.041588 0.365848 -2.232086
H -2.653643 1.654626 -1.162372
H -0.713147 0.334002 1.741759
H -2.421757 0.744025 1.454152
H -4.330213 -0.153610 -1.890269
H -4.325766 0.272176 -0.172008
H -2.020237 -1.497542 2.641227
H -1.165903 -2.059880 1.186092
H 4.626350 -1.714165 1.918642
H 3.234572 -0.629113 1.600045
H 4.594839 -0.711007 0.440120
H -0.494440 4.856572 1.760192
H -0.834041 3.139255 1.383889
H -0.995147 4.384410 0.110393
H -2.675764 -2.141314 -1.116998
H -4.431817 -2.283851 -0.876190
H -4.176351 -1.399293 1.484048
H -3.441735 -2.990582 1.202861


