%chk=000187708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187708

0 1
O -5.097849 -1.295755 -0.082421
O -3.887285 0.422032 -0.932311
N -0.963561 -0.183953 2.012513
N -3.552775 -2.708795 2.604425
C 5.159880 0.587024 0.547896
C 6.264558 -0.180152 -0.191320
C 3.835194 -0.187559 0.531864
C 7.590130 0.593076 -0.176129
C 2.730571 0.579834 1.271245
C 8.694488 -0.174261 -0.915177
C 1.408941 -0.197510 1.253045
C 10.021407 0.597837 -0.901474
C 0.308554 0.578523 1.993929
C 11.124141 -0.161767 -1.635480
C -1.906257 -0.029465 1.042805
C -7.043878 0.066180 -0.614437
C -8.299963 0.170844 -1.487131
C -6.142674 -1.071627 -1.082046
C -3.059441 -0.789814 0.963351
C -9.204182 1.313071 -1.030521
C -4.009341 -0.460701 -0.103140
C -3.346726 -1.847338 1.857347
H 5.021107 1.583204 0.084809
H 5.472352 0.780683 1.592306
H 5.954997 -0.373860 -1.236656
H 6.405928 -1.176688 0.270084
H 3.977791 -1.184471 0.992761
H 3.526600 -0.381378 -0.514109
H 7.901686 0.786748 0.868433
H 7.450723 1.589229 -0.638740
H 3.045267 0.772877 2.315693
H 2.593358 1.575976 0.806175
H 8.385625 -0.368975 -1.960233
H 8.836480 -1.170657 -0.454281
H 1.098752 -0.394829 0.207025
H 1.550874 -1.196458 1.711865
H 9.882156 1.594073 -1.365129
H 10.333531 0.791699 0.143422
H 0.151780 1.576521 1.524385
H 0.609784 0.774101 3.049899
H 12.066908 0.396553 -1.620794
H 11.315015 -1.139178 -1.177947
H 10.863766 -0.337438 -2.685472
H -1.036675 -0.937252 2.695311
H -1.750645 0.771599 0.290251
H -7.320953 -0.089856 0.447449
H -6.477743 1.020777 -0.637038
H -8.862107 -0.783626 -1.458188
H -8.011205 0.325014 -2.546062
H -5.669759 -0.870229 -2.058647
H -6.642627 -2.057206 -1.080259
H -8.689843 2.280004 -1.082009
H -10.099971 1.384066 -1.657663
H -9.537786 1.175451 0.004627


%chk=000187708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187708

0 1
O -5.308783 -1.268772 -0.085815
O -4.154015 0.552939 -1.007907
N -0.955429 -0.147139 1.645988
N -3.346270 -2.721137 2.518772
C 5.313699 0.622624 0.425442
C 6.485964 -0.161016 -0.206815
C 3.972340 -0.142002 0.366195
C 7.838646 0.580985 -0.120227
C 2.794131 0.638123 0.991923
C 9.007845 -0.205273 -0.755067
C 1.471860 -0.161304 0.969590
C 10.365114 0.527804 -0.656165
C 0.297031 0.630854 1.588568
C 11.526286 -0.264614 -1.294808
C -2.010521 0.027994 0.810063
C -7.440465 -0.009014 -0.393786
C -8.684391 0.188997 -1.292376
C -6.451210 -1.007482 -1.009539
C -3.174949 -0.745116 0.797843
C -9.694280 1.186593 -0.685206
C -4.221635 -0.397311 -0.179751
C -3.313219 -1.830559 1.714950
H 5.205062 1.599817 -0.090132
H 5.556869 0.854584 1.483604
H 6.252725 -0.374697 -1.270944
H 6.578349 -1.147604 0.294128
H 4.084490 -1.115137 0.888436
H 3.732879 -0.382540 -0.690371
H 8.073820 0.790460 0.944514
H 7.748792 1.569277 -0.618291
H 3.047496 0.904642 2.039499
H 2.659708 1.596899 0.448886
H 8.779000 -0.406850 -1.822668
H 9.092483 -1.197504 -0.263901
H 1.213042 -0.439039 -0.070996
H 1.607870 -1.110722 1.526734
H 10.279669 1.519773 -1.145463
H 10.594261 0.727004 0.410773
H 0.103899 1.547643 1.001990
H 0.564483 0.950400 2.614941
H 12.484265 0.281063 -1.212044
H 11.653554 -1.247347 -0.802423
H 11.335310 -0.451195 -2.368615
H -0.997692 -0.923439 2.316030
H -1.946119 0.849797 0.087069
H -7.753519 -0.375973 0.602854
H -6.931045 0.961833 -0.244664
H -9.182803 -0.788584 -1.454896
H -8.364589 0.549145 -2.291254
H -6.053904 -0.632515 -1.970356
H -6.908487 -2.001721 -1.146279
H -9.231211 2.180960 -0.543602
H -10.576729 1.313434 -1.338617
H -10.050573 0.838161 0.302291


