%chk=000298702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298702

0 1
O 2.019313 -0.931459 0.855761
N -4.205538 0.353836 -0.040209
C 7.911441 0.663430 -0.281741
C 6.796846 -0.196863 0.328596
C 9.300110 0.129092 0.094304
C 5.408223 0.337795 -0.047388
C 10.415300 0.988857 -0.515368
C 4.299855 -0.525242 0.564252
C 11.805155 0.455850 -0.139532
C 2.920610 0.010616 0.188315
C 12.919167 1.307711 -0.743899
C 0.668739 -0.743339 0.725484
C 0.055376 0.286014 -0.000686
C -0.088653 -1.717671 1.415446
C -2.114959 -0.617051 0.641556
C -1.340148 0.338508 -0.035120
C -1.472349 -1.644481 1.366378
C -8.402458 0.790086 -0.340758
C -9.890403 0.977790 -0.470647
C -5.632627 0.430714 -0.091926
C -3.589844 -0.577227 0.616140
C -7.700993 1.397628 0.712269
C -7.704665 -0.000930 -1.266719
C -6.323470 1.223351 0.842954
C -6.327168 -0.184713 -1.149471
C -10.651942 -0.103998 0.295359
H 7.808081 1.712055 0.058203
H 7.805984 0.691921 -1.383528
H 6.904367 -0.225780 1.430437
H 6.902077 -1.245612 -0.011262
H 9.407069 0.100380 1.195922
H 9.405087 -0.919322 -0.245763
H 5.303730 0.365253 -1.149840
H 5.305805 1.386398 0.294681
H 10.310969 1.018114 -1.617001
H 10.312452 2.037654 -0.176588
H 4.392481 -1.579073 0.230373
H 4.395118 -0.563063 1.668840
H 11.912340 0.428219 0.962552
H 11.910739 -0.592937 -0.479748
H 2.725313 -0.026581 -0.896210
H 2.728223 1.020817 0.586080
H 12.866759 2.346099 -0.397416
H 12.865880 1.324901 -1.838389
H 13.906815 0.920230 -0.469886
H 0.634082 1.034319 -0.530514
H 0.426501 -2.500186 1.967420
H -1.839028 1.135250 -0.597140
H -2.067506 -2.390663 1.894853
H -10.189132 0.963630 -1.538984
H -10.186444 1.980670 -0.100004
H -4.082765 -1.384142 1.186841
H -8.234922 2.011239 1.436429
H -8.241457 -0.477761 -2.085555
H -5.781594 1.706025 1.653614
H -5.788149 -0.788679 -1.876421
H -10.403692 -0.086943 1.363337
H -11.734824 0.030551 0.202280
H -10.406377 -1.105485 -0.077763


%chk=000298702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298702

0 1
O 2.014248 -1.406612 0.553971
N -4.244985 0.375013 -0.042854
C 7.959962 0.692535 -0.203548
C 6.876325 -0.323148 0.222211
C 9.397831 0.212924 0.097536
C 5.437942 0.168093 -0.056390
C 10.483383 1.225799 -0.330975
C 4.364009 -0.861428 0.364292
C 11.921073 0.749483 -0.021475
C 2.945566 -0.341198 0.126367
C 12.999538 1.766804 -0.452733
C 0.640812 -1.159949 0.465265
C 0.069052 0.051714 -0.013535
C -0.197972 -2.220721 0.895343
C -2.184876 -0.860657 0.377722
C -1.329567 0.190611 -0.052736
C -1.592364 -2.067693 0.849880
C -8.502993 0.786718 -0.344233
C -10.014302 0.952252 -0.407589
C -5.659682 0.455059 -0.136399
C -3.646389 -0.726621 0.347137
C -7.663172 1.870676 0.027283
C -7.888803 -0.460186 -0.631228
C -6.266462 1.716278 0.115647
C -6.493596 -0.632925 -0.528802
C -10.697711 0.657854 0.955863
H 7.780972 1.658496 0.313905
H 7.862705 0.899726 -1.289935
H 6.984062 -0.541967 1.305004
H 7.045452 -1.283821 -0.307391
H 9.495798 0.009697 1.184681
H 9.577197 -0.754964 -0.416146
H 5.333016 0.396481 -1.137696
H 5.270159 1.124106 0.482869
H 10.391314 1.425377 -1.419337
H 10.302653 2.195814 0.178318
H 4.500713 -1.803504 -0.200380
H 4.477886 -1.109827 1.436960
H 12.012199 0.550713 1.066065
H 12.100765 -0.219939 -0.529992
H 2.776893 -0.113515 -0.946851
H 2.754455 0.577137 0.719791
H 12.862391 2.733891 0.067193
H 12.947717 1.961937 -1.540693
H 14.017493 1.401411 -0.223254
H 0.702094 0.876882 -0.352104
H 0.267440 -3.142037 1.257902
H -1.793102 1.113872 -0.415361
H -2.237355 -2.889653 1.185160
H -10.436380 0.273679 -1.173637
H -10.267661 1.983594 -0.720274
H -4.216526 -1.612960 0.701953
H -8.111498 2.850374 0.235225
H -8.513464 -1.303375 -0.952832
H -5.617562 2.556443 0.383554
H -6.042388 -1.596602 -0.793921
H -10.322073 1.340107 1.739867
H -11.793906 0.784050 0.884029
H -10.489424 -0.376493 1.284506


