%chk=000268733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268733

0 1
O 0.391431 -1.893499 -0.328334
O 1.799854 1.613225 2.644623
O -2.331020 -0.260138 2.984851
N -0.937215 -1.138223 1.347113
N -0.242259 0.664831 2.788176
C 1.324956 -0.046092 0.932733
C 2.658193 -0.789286 1.224137
C 1.438812 0.926888 -0.267957
C 0.259552 -1.093035 0.571740
C 1.023761 0.815356 2.167780
C 3.552495 -0.965115 0.024705
C 0.216326 1.785691 -0.444824
C -1.268133 -0.240832 2.401497
C -2.008232 -2.108607 0.936302
C 3.294186 -1.966791 -0.922095
C -0.884730 1.307433 -1.169430
C 4.672145 -0.132988 -0.132775
C 0.176689 3.073445 0.111031
C -2.912481 -1.504152 -0.108382
C 4.149773 -2.135312 -2.013561
C -2.018514 2.108448 -1.328909
C 5.524952 -0.306634 -1.226043
C -0.956652 3.873030 -0.057367
C -4.000666 -0.710515 0.281716
C -2.667970 -1.740700 -1.468518
C 5.266782 -1.307887 -2.167521
C -2.056392 3.392041 -0.775396
C -4.852217 -0.173489 -0.687103
C -3.523588 -1.201637 -2.433089
C -4.617751 -0.421824 -2.043869
H 2.444443 -1.781665 1.675630
H 3.218599 -0.231892 2.012925
H 1.641260 0.339601 -1.194086
H 2.346422 1.557414 -0.131986
H -0.465600 1.295821 3.576851
H -2.587230 -2.400984 1.845609
H -1.508327 -3.031448 0.553765
H 2.412928 -2.605012 -0.815638
H -0.864152 0.308846 -1.608434
H 4.881199 0.648642 0.596179
H 1.028071 3.450840 0.678071
H 3.943838 -2.914310 -2.746347
H -2.876673 1.723871 -1.881392
H 6.393214 0.339959 -1.343443
H -0.982784 4.872856 0.373526
H -4.172793 -0.507187 1.341856
H -1.806148 -2.338656 -1.770367
H 5.932854 -1.442633 -3.017332
H -2.939730 4.014825 -0.901893
H -5.700026 0.438739 -0.383489
H -3.337662 -1.390781 -3.489108
H -5.287289 -0.009278 -2.796426


%chk=000268733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268733

0 1
O 0.330674 -1.976850 -0.263584
O 1.958772 1.487481 2.717386
O -2.374846 -0.095698 3.038136
N -1.020269 -1.049847 1.373090
N -0.202430 0.685629 2.789854
C 1.316719 -0.117219 0.970697
C 2.680421 -0.919717 1.169992
C 1.443197 0.904559 -0.238447
C 0.188957 -1.111354 0.645260
C 1.077060 0.734249 2.225325
C 3.617660 -1.020294 -0.028068
C 0.252630 1.833436 -0.426401
C -1.276531 -0.144846 2.426696
C -2.113509 -2.022876 1.026291
C 3.438545 -2.000027 -1.039413
C -0.868216 1.433212 -1.199099
C 4.727169 -0.139957 -0.123894
C 0.249259 3.127266 0.158373
C -3.050508 -1.528171 -0.068679
C 4.345685 -2.093527 -2.118314
C -1.970510 2.298803 -1.375242
C 5.634452 -0.229387 -1.203852
C -0.849521 3.997329 -0.020433
C -4.181820 -0.738102 0.258967
C -2.815178 -1.875642 -1.423226
C 5.445921 -1.208343 -2.206264
C -1.964744 3.584429 -0.786276
C -5.062640 -0.298953 -0.754396
C -3.695823 -1.435485 -2.437103
C -4.822308 -0.646238 -2.104853
H 2.423572 -1.934409 1.524577
H 3.217869 -0.404244 1.984531
H 1.615459 0.294521 -1.141905
H 2.358455 1.490683 -0.046567
H -0.390340 1.320605 3.572889
H -2.668001 -2.199103 1.961705
H -1.603305 -2.947410 0.712694
H 2.576513 -2.672263 -0.982255
H -0.876826 0.444886 -1.674142
H 4.884425 0.613106 0.658898
H 1.114273 3.452736 0.749458
H 4.194983 -2.857087 -2.890104
H -2.829663 1.965649 -1.967803
H 6.486745 0.457319 -1.259502
H -0.833295 4.995545 0.431660
H -4.359841 -0.466991 1.305959
H -1.939088 -2.484224 -1.675215
H 6.149502 -1.283335 -3.043205
H -2.817389 4.258364 -0.926282
H -5.936544 0.307680 -0.491573
H -3.508944 -1.712706 -3.480757
H -5.510327 -0.311985 -2.889879


