%chk=000179896.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179896

0 1
O -4.239517 1.916098 -0.002593
O 1.381381 -1.134189 0.235874
N -1.446091 2.852162 -0.054310
N -3.555967 -0.062234 0.900362
N 1.738709 1.132493 -0.019005
N 4.277751 -1.616256 0.080962
N 4.563236 0.614715 -0.091301
N 5.620355 -1.444575 -0.003213
N -3.352802 -2.439993 -1.440884
N -4.631390 -3.698890 0.180158
N 7.019235 0.559544 -0.363657
C -1.886719 1.552684 0.196477
C 0.377964 1.528146 0.024312
C -0.754495 0.711313 0.244979
C -0.066204 2.863053 -0.157449
C -3.311854 1.186310 0.335861
C -4.929979 -0.610535 0.966427
C -2.288410 4.044556 -0.178443
C -5.289514 -1.409635 -0.296616
C 2.148063 -0.190261 0.094010
C 3.627203 -0.383675 0.027067
C -4.385791 -2.610370 -0.476028
C 3.694986 -2.957260 0.202694
C 5.787800 -0.064339 -0.122749
H -0.733306 -0.351509 0.410042
H 0.512704 3.747577 -0.343867
H -5.655711 0.231246 1.087488
H -5.010878 -1.259397 1.869175
H -3.361586 3.758330 -0.311235
H -1.995896 4.650403 -1.052924
H -2.222683 4.672356 0.728255
H -2.800297 -0.680642 1.178678
H 2.436825 1.876348 -0.143997
H -5.274713 -0.750903 -1.190073
H -6.343978 -1.761617 -0.212242
H 4.105210 -3.484487 1.085039
H 2.588398 -2.884765 0.311195
H 3.924539 -3.565989 -0.692989
H -3.082571 -1.502843 -1.698661
H -2.579951 -3.086848 -1.440235
H -4.039327 -4.513029 0.060026
H 7.045926 1.543255 -0.114431
H 7.826342 0.046649 -0.023879


%chk=000179896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179896

0 1
O -4.289536 2.222978 -0.265788
O 1.195173 -1.345793 0.016253
N -1.395902 2.951905 0.081876
N -3.750618 0.132592 0.626118
N 1.641357 0.975793 0.027354
N 4.203551 -1.671646 -0.103886
N 4.340616 0.569708 -0.090831
N 5.579364 -1.396819 -0.159593
N -2.882697 -2.604965 -0.565158
N -4.713843 -3.741367 0.561606
N 6.760514 0.708979 -0.191121
C -1.952364 1.666141 0.166042
C 0.327484 1.476435 0.081373
C -0.892343 0.733393 0.161614
C -0.011768 2.845115 0.040662
C -3.412577 1.393929 0.159446
C -5.094001 -0.443314 0.487012
C -2.121874 4.235815 0.131651
C -5.138321 -1.604982 -0.548926
C 2.006405 -0.357675 -0.002697
C 3.485692 -0.500387 -0.063614
C -4.218023 -2.757430 -0.158194
C 3.754099 -3.066761 -0.094877
C 5.595128 -0.018388 -0.148332
H -0.955524 -0.351455 0.173723
H 0.623893 3.726776 -0.015453
H -5.763344 0.373426 0.168198
H -5.439889 -0.824402 1.465284
H -3.151382 4.066933 -0.216570
H -1.617152 4.965315 -0.523538
H -2.145193 4.630621 1.163681
H -3.013666 -0.466198 1.003238
H 2.433864 1.631745 -0.003230
H -4.879030 -1.209761 -1.549104
H -6.166188 -2.000530 -0.583815
H 4.174922 -3.583788 0.783415
H 2.655276 -3.069765 -0.051918
H 4.105610 -3.572608 -1.009379
H -2.616037 -1.862956 -1.211136
H -2.186918 -3.321758 -0.360395
H -4.008506 -4.465101 0.819238
H 6.716184 1.722245 -0.179219
H 7.654561 0.230998 -0.232706


