%chk=000201272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201272

0 1
O 4.375667 0.324601 -0.267862
N -3.428539 1.177562 0.066243
N -0.778942 -1.493086 0.522445
C -2.996175 -0.181089 0.548558
C -1.509660 -0.302999 0.377935
C -0.638876 0.755816 0.126889
C -1.128115 2.141108 -0.077742
C -2.541014 2.290994 0.527982
C 0.694960 0.227042 0.088451
C -3.785275 -1.255429 -0.238027
C 0.586274 -1.187854 0.329598
C 1.963967 0.802179 -0.121823
C -3.438273 -1.284112 -1.722272
C 1.716652 -2.029709 0.362276
C 3.056045 -0.049490 -0.084995
C 2.952746 -1.455644 0.153570
C 4.645089 1.720646 -0.532001
H -3.222094 -0.314776 1.645036
H -0.440837 2.881644 0.373296
H -1.162211 2.359297 -1.167690
H -2.462779 2.350239 1.635125
H -2.997944 3.241312 0.176710
H -4.388688 1.351790 0.380249
H -4.871297 -1.067298 -0.118192
H -3.599471 -2.246737 0.216522
H -1.158757 -2.409315 0.640784
H 2.047537 1.865518 -0.303804
H -3.565203 -0.284986 -2.167576
H -2.392095 -1.564474 -1.891968
H -4.073740 -1.983496 -2.272618
H 1.611713 -3.095224 0.545958
H 3.867945 -2.043649 0.163406
H 4.329838 2.335374 0.315893
H 4.160845 2.031899 -1.462100
H 5.737407 1.724344 -0.636552


%chk=000201272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201272

0 1
O 4.441709 0.319084 -0.294832
N -3.400770 1.178709 0.075048
N -0.786495 -1.478575 0.561192
C -3.012945 -0.178695 0.542007
C -1.512720 -0.287348 0.411514
C -0.634755 0.760799 0.137201
C -1.127790 2.174280 -0.051184
C -2.545706 2.289442 0.561124
C 0.701726 0.202462 0.101079
C -3.785971 -1.258871 -0.269759
C 0.578251 -1.206148 0.371405
C 1.989194 0.763326 -0.128142
C -3.452736 -1.269616 -1.775164
C 1.703179 -2.057843 0.415231
C 3.107096 -0.095206 -0.083855
C 2.968828 -1.491299 0.184623
C 4.660377 1.733962 -0.582093
H -3.280828 -0.329608 1.623437
H -0.454104 2.903785 0.441130
H -1.171151 2.438548 -1.126582
H -2.450114 2.298099 1.675680
H -3.016804 3.241808 0.256500
H -4.400804 1.351954 0.236652
H -4.871478 -1.079014 -0.125314
H -3.584341 -2.254839 0.177798
H -1.186890 -2.395707 0.742818
H 2.093117 1.832511 -0.335137
H -3.629666 -0.270605 -2.208351
H -2.391276 -1.523929 -1.946810
H -4.076032 -2.007326 -2.312999
H 1.608213 -3.129770 0.621157
H 3.876197 -2.102071 0.204495
H 4.325715 2.375440 0.257857
H 4.138988 2.044933 -1.509616
H 5.747488 1.839331 -0.716404


