%chk=000230546.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230546

0 1
O -0.384009 0.784296 -0.346736
O -0.843656 -2.635642 0.565324
N -2.034100 -0.666399 0.381636
C 0.255572 -0.524159 -0.216047
C 1.342157 -0.429807 0.857377
C -1.803176 0.748633 -0.016920
C 2.547331 0.498133 0.581483
C -0.886355 -1.458258 0.290315
C 0.689799 -0.961557 -1.601629
C -2.576836 1.123917 -1.275363
C -2.018526 1.713913 1.142664
C 3.557625 -0.127753 -0.387252
C 2.106301 1.881368 0.098214
H 0.863079 -0.086347 1.798829
H 1.714327 -1.457094 1.060478
H 3.068330 0.628345 1.567814
H -2.936937 -1.007269 0.677955
H 1.569506 -0.387049 -1.939216
H 0.962683 -2.025272 -1.618217
H -0.103482 -0.797515 -2.340851
H -2.201376 2.073498 -1.681772
H -2.449587 0.374136 -2.067011
H -3.648710 1.236523 -1.087211
H -1.468129 1.395567 2.037933
H -1.638457 2.711426 0.881821
H -3.074183 1.812888 1.412115
H 3.134426 -0.233493 -1.396780
H 3.873324 -1.122390 -0.057172
H 4.455468 0.493040 -0.475316
H 1.589002 1.825141 -0.869972
H 2.954301 2.562044 -0.010941
H 1.387788 2.332534 0.792347


%chk=000230546-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230546

0 1
O -0.483098 0.894391 -0.363426
O -0.720378 -2.613728 0.544243
N -2.043241 -0.664403 0.358565
C 0.226180 -0.423082 -0.242484
C 1.341492 -0.334837 0.834531
C -1.927828 0.761464 -0.012635
C 2.647109 0.469659 0.556309
C -0.872540 -1.393002 0.270430
C 0.679505 -0.867964 -1.646897
C -2.772053 1.106547 -1.253856
C -2.228196 1.693921 1.175625
C 3.681753 -0.286933 -0.316736
C 2.398116 1.902265 0.025905
H 0.860403 0.094163 1.736776
H 1.614524 -1.379064 1.089745
H 3.117383 0.574979 1.558568
H -2.921069 -1.084879 0.664616
H 1.315316 -0.095398 -2.107496
H 1.242869 -1.814755 -1.585516
H -0.196479 -1.025312 -2.300705
H -2.547072 2.137212 -1.576639
H -2.530679 0.418402 -2.080886
H -3.853400 1.038132 -1.032008
H -1.609264 1.413198 2.043958
H -1.992111 2.734735 0.895806
H -3.295273 1.643284 1.461801
H 3.357783 -0.377993 -1.367283
H 3.863155 -1.306998 0.071590
H 4.648070 0.252016 -0.314036
H 1.955761 1.891491 -0.985832
H 3.350333 2.464129 -0.020798
H 1.696429 2.453757 0.676665


