%chk=000225645.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225645

0 1
O 2.185070 4.180361 0.885505
N 3.167565 1.856761 -0.449750
N -1.542133 -1.301486 -0.029661
N -7.932317 -0.190345 0.097572
C 3.150215 0.458981 -0.962090
C 2.060124 -0.479909 -0.434424
C 4.427595 -0.280471 -0.568360
C 2.648405 -1.650211 0.130698
C 4.109911 -1.529146 0.046933
C 3.105489 1.914870 1.047372
C 2.063654 2.678851 -1.046609
C 3.226656 3.381095 1.486520
C 2.219220 4.127116 -0.554644
C 0.689067 -0.319287 -0.466702
C 5.742184 0.104363 -0.756367
C 1.850681 -2.663825 0.645758
C 5.118919 -2.388033 0.456693
C -0.119191 -1.355149 0.066428
C 0.457133 -2.515387 0.610366
C 6.762508 -0.770367 -0.334537
C 6.455510 -1.994460 0.257887
C -2.231602 -0.330897 0.487448
C -3.695802 -0.297785 0.344492
C -4.423109 0.750350 0.938792
C -4.396652 -1.286239 -0.370802
C -6.514000 -0.178430 0.102024
C -5.805028 0.818900 0.819804
C -5.779527 -1.230657 -0.497928
C -8.625360 1.103451 0.341793
C -8.603641 -0.989592 -0.962726
H 3.086230 0.501244 -2.083281
H 3.954704 1.322434 1.454303
H 2.172054 1.469999 1.455942
H 1.050692 2.298910 -0.785067
H 2.155331 2.645158 -2.152825
H 3.032232 3.511491 2.565152
H 4.207337 3.811249 1.217264
H 3.162495 4.579555 -0.908799
H 1.359153 4.758281 -0.837440
H 0.232146 0.568179 -0.899086
H 5.982299 1.063897 -1.211221
H 2.294690 -3.562275 1.069988
H 4.889069 -3.343169 0.920909
H -0.186755 -3.303741 0.999543
H 7.802426 -0.481382 -0.475994
H 7.257554 -2.659443 0.574324
H -1.803552 0.510392 1.062395
H -3.898736 1.524744 1.500847
H -3.839222 -2.106871 -0.834038
H -6.339438 1.637286 1.296242
H -6.290752 -2.014124 -1.052419
H -8.472302 1.843080 -0.459941
H -8.273926 1.539920 1.293997
H -9.707915 0.926186 0.452970
H -8.239060 -2.032215 -0.928559
H -8.443551 -0.596207 -1.979036
H -9.688047 -1.024903 -0.766957


%chk=000225645-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225645

0 1
O 2.366554 4.321727 1.070482
N 3.089215 1.875705 -0.288135
N -1.578013 -1.483836 0.027602
N -7.968023 -0.033839 -0.141787
C 3.107830 0.506739 -0.862678
C 2.034981 -0.509883 -0.397675
C 4.407827 -0.243017 -0.546116
C 2.665363 -1.701426 0.074679
C 4.128171 -1.538144 -0.020668
C 3.064853 1.936305 1.194613
C 2.094926 2.805106 -0.873903
C 3.343580 3.378960 1.647581
C 2.403649 4.236319 -0.398988
C 0.637418 -0.404118 -0.428679
C 5.728542 0.198247 -0.716215
C 1.883508 -2.796919 0.506315
C 5.184942 -2.412242 0.318992
C -0.163200 -1.496570 0.038638
C 0.479136 -2.691661 0.478283
C 6.791021 -0.676954 -0.371202
C 6.517772 -1.971678 0.137696
C -2.256474 -0.379649 0.260091
C -3.712135 -0.308496 0.156510
C -4.394124 0.905502 0.450793
C -4.496604 -1.432111 -0.237035
C -6.579312 -0.121592 -0.041574
C -5.790118 1.007474 0.356743
C -5.889808 -1.348658 -0.334469
C -8.650847 1.229441 0.169028
C -8.755726 -1.203675 -0.555707
H 3.020412 0.637587 -1.962592
H 3.847012 1.265366 1.594494
H 2.081516 1.604045 1.604897
H 1.047512 2.557971 -0.572313
H 2.157738 2.755401 -1.978160
H 3.238312 3.482075 2.740328
H 4.370095 3.673207 1.338908
H 3.407503 4.539862 -0.767810
H 1.642460 4.950633 -0.755315
H 0.144962 0.482907 -0.841564
H 5.928507 1.204890 -1.098936
H 2.355341 -3.724694 0.849008
H 4.984079 -3.412172 0.719983
H -0.158585 -3.522692 0.795754
H 7.829908 -0.352268 -0.498473
H 7.349492 -2.636641 0.397524
H -1.750345 0.559149 0.576461
H -3.813794 1.784963 0.759430
H -3.975013 -2.368560 -0.461309
H -6.269416 1.961327 0.592795
H -6.452799 -2.236047 -0.637088
H -8.319057 2.050495 -0.498246
H -8.471537 1.546414 1.216231
H -9.736316 1.102044 0.034919
H -8.641784 -2.048832 0.152718
H -8.462000 -1.559905 -1.563426
H -9.822404 -0.932485 -0.590735


