%chk=000231012.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231012

0 1
O -3.091817 -3.398642 -0.518149
O -8.386043 3.157501 0.170307
N -1.466626 -2.436192 0.757845
C 5.177459 -0.775331 -0.345824
C 6.187963 0.054958 0.457128
C 3.948718 -1.135207 0.500377
C 7.416183 0.415216 -0.389633
C 2.939430 -1.966304 -0.303094
C 8.427230 1.245305 0.412890
C 1.708872 -2.324861 0.541432
C 9.655028 1.605407 -0.434143
C 0.704216 -3.158896 -0.262436
C 10.667619 2.435620 0.367348
C -0.526146 -3.565102 0.562933
C 11.891885 2.796698 -0.471063
C -2.713709 -2.426330 0.123708
C -3.521609 -1.196683 0.329137
C -4.739096 -1.101012 -0.230040
C -5.635201 0.050432 -0.107825
C -5.166572 1.326976 0.239032
C -7.016270 -0.130658 -0.356334
C -6.039021 2.413372 0.346602
C -7.903587 0.928636 -0.249673
C -7.401514 2.201689 0.103644
C -8.000278 4.508969 0.522137
H 4.862898 -0.215606 -1.247765
H 5.661431 -1.698722 -0.718625
H 6.503886 -0.505215 1.358277
H 5.704721 0.978326 0.830413
H 4.264474 -1.694805 1.402033
H 3.465456 -0.211491 0.872607
H 7.899935 -0.507969 -0.763050
H 7.101009 0.975360 -1.291044
H 2.626518 -1.408268 -1.206843
H 3.424054 -2.890245 -0.674051
H 7.943919 2.168577 0.786364
H 8.743077 0.684939 1.313913
H 2.023449 -2.882310 1.445217
H 1.226794 -1.399523 0.909346
H 10.139553 0.683206 -0.808431
H 9.341129 2.165829 -1.335609
H 1.196629 -4.076706 -0.641735
H 0.383358 -2.604662 -1.167193
H 10.184818 3.359886 0.740637
H 10.984352 1.874961 1.268524
H -0.224897 -3.949759 1.562295
H -1.068965 -4.397286 0.046973
H 12.608538 3.388707 0.108944
H 11.617393 3.386024 -1.353312
H 12.416328 1.902095 -0.825627
H -1.092012 -1.611655 1.208305
H -3.094871 -0.410870 0.945785
H -5.125244 -1.942439 -0.828834
H -4.102057 1.482602 0.421646
H -7.389153 -1.119773 -0.630491
H -5.654270 3.391830 0.612120
H -8.969427 0.806215 -0.431461
H -7.569431 4.531773 1.527063
H -7.315986 4.916144 -0.227562
H -8.966716 5.030168 0.496667


%chk=000231012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231012

0 1
O -2.817410 -3.265576 -0.926551
O -8.025733 3.514018 -0.118570
N -1.518541 -2.737885 0.936031
C 5.108909 -0.977795 -0.248749
C 6.016476 0.089940 0.403483
C 3.806017 -1.238218 0.539703
C 7.318415 0.352571 -0.385806
C 2.890283 -2.293336 -0.121472
C 8.220808 1.428416 0.260531
C 1.587887 -2.554312 0.668087
C 9.520679 1.694748 -0.531078
C 0.664536 -3.588659 -0.013278
C 10.419995 2.774900 0.113258
C -0.628004 -3.899273 0.779879
C 11.713934 3.039283 -0.686513
C -2.565650 -2.486718 0.051228
C -3.353231 -1.257995 0.352819
C -4.408991 -0.901454 -0.440124
C -5.297222 0.256660 -0.297836
C -5.178645 1.218928 0.743964
C -6.346905 0.440894 -1.248303
C -6.058408 2.313368 0.842845
C -7.233356 1.525150 -1.166179
C -7.093938 2.469229 -0.117156
C -7.928634 4.516907 0.946277
H 4.853939 -0.659880 -1.281410
H 5.674431 -1.928095 -0.347749
H 6.271823 -0.227006 1.436542
H 5.449909 1.039876 0.501720
H 4.060372 -1.566014 1.569679
H 3.246411 -0.285017 0.646341
H 7.888778 -0.595456 -0.479152
H 7.062562 0.663288 -1.420521
H 2.632590 -1.963116 -1.149235
H 3.448977 -3.246199 -0.232810
H 7.649157 2.375678 0.355353
H 8.478896 1.117406 1.294743
H 1.844501 -2.903760 1.691305
H 1.042728 -1.594632 0.787428
H 10.095634 0.749367 -0.623882
H 9.263727 2.003858 -1.566060
H 1.217304 -4.540711 -0.151724
H 0.380574 -3.235189 -1.023207
H 9.843361 3.717836 0.208631
H 10.678785 2.463955 1.146231
H -0.371674 -4.284984 1.786147
H -1.209323 -4.671787 0.246692
H 12.337568 3.815162 -0.205201
H 11.481927 3.380530 -1.713176
H 12.323426 2.119478 -0.769854
H -1.334605 -2.071690 1.687160
H -3.059443 -0.659556 1.226779
H -4.607991 -1.577158 -1.285721
H -4.386872 1.114336 1.494346
H -6.460689 -0.285788 -2.061433
H -5.934195 3.031048 1.659404
H -8.037413 1.664629 -1.894723
H -8.064317 4.057458 1.944456
H -6.958733 5.049599 0.909303
H -8.747593 5.223643 0.748909


