%chk=000201717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201717

1 1
O 2.375974 -1.246106 0.001671
N -1.137209 -0.316736 -0.000116
C 1.176928 0.881529 -0.000032
C -0.996265 0.565882 1.249686
C -0.995362 0.564303 -1.250925
C 0.379692 1.256287 1.258759
C 0.380661 1.254573 -1.259958
C -0.020769 -1.346737 0.000939
C 1.351909 -0.635348 0.001034
C -2.479578 -1.005400 -0.000169
H 2.176608 1.386604 0.000010
H -1.131670 -0.058975 2.162008
H -1.816399 1.319688 1.260708
H -1.815422 1.318169 -1.263423
H -1.130217 -0.061684 -2.162552
H 0.259640 2.359846 1.317175
H 0.947776 0.986347 2.175293
H 0.949415 0.983286 -2.175679
H 0.260752 2.358054 -1.320037
H -0.087989 -2.023058 -0.883767
H -0.088660 -2.021970 0.886426
H -2.612798 -1.652459 0.889309
H -3.315980 -0.279493 -0.000946
H -2.612140 -1.653603 -0.888913


%chk=000201717-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201717

1 1
O 2.421201 -1.280764 0.002263
N -1.145636 -0.320086 -0.000143
C 1.199837 0.881596 -0.000098
C -1.002945 0.572609 1.256793
C -1.002083 0.571091 -1.258073
C 0.386904 1.273569 1.268705
C 0.387829 1.271930 -1.269986
C -0.013169 -1.356217 0.000928
C 1.356393 -0.633894 0.000827
C -2.501417 -1.014183 -0.000188
H 2.189095 1.363553 -0.000039
H -1.149159 -0.088461 2.127012
H -1.838454 1.290770 1.220288
H -1.837554 1.289362 -1.222921
H -1.147828 -0.090992 -2.127599
H 0.258513 2.368872 1.283845
H 0.945353 0.996848 2.177875
H 0.946891 0.993916 -2.178386
H 0.259546 2.367222 -1.286709
H -0.110911 -1.994114 -0.895007
H -0.111473 -1.992840 0.897708
H -2.587504 -1.640955 0.900764
H -3.297659 -0.253774 -0.000925
H -2.586876 -1.642060 -0.900429


