%chk=000223390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223390

0 1
O 3.509015 -1.086043 0.000701
O 3.530104 1.058983 -0.001465
N 2.927867 -0.007789 -0.000375
C -2.904087 0.005770 0.000213
C -1.370228 0.037735 -0.000098
C -3.371496 -0.737701 1.266288
C -3.372149 -0.739175 -1.264752
C -3.523242 1.414319 -0.000493
C -0.663178 -1.175453 -0.000294
C -0.643036 1.232234 -0.000103
C 0.733632 -1.214347 -0.000467
C 0.758193 1.239659 -0.000278
C 1.465671 0.006900 -0.000395
C 1.403847 -2.542649 -0.000744
C 1.453613 2.554896 -0.000293
H -4.464912 -0.762027 1.329404
H -3.023940 -1.775933 1.287523
H -3.000926 -0.250278 2.175226
H -3.024855 -1.777518 -1.284826
H -4.465595 -0.763332 -1.327421
H -3.001814 -0.252968 -2.174437
H -4.618283 1.360648 -0.000320
H -3.231873 1.988100 0.886193
H -3.232089 1.987093 -0.887903
H -1.216254 -2.115118 -0.000317
H -1.163313 2.189986 0.000033
H 2.069835 -2.661684 0.873795
H 0.704102 -3.386419 -0.001450
H 2.070711 -2.660994 -0.874701
H 2.122645 2.660749 0.873731
H 2.122376 2.660841 -0.874525
H 0.770559 3.412314 -0.000148


%chk=000223390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223390

0 1
O 3.541240 -0.833976 0.790795
O 3.559744 0.806463 -0.786725
N 2.934456 -0.006623 0.002222
C -2.917406 0.007921 0.001749
C -1.371662 0.033488 0.002374
C -3.419115 -0.768777 1.257399
C -3.416189 -0.717420 -1.285713
C -3.537033 1.428287 0.028997
C -0.646670 -1.187440 -0.015191
C -0.628683 1.238091 0.018039
C 0.763327 -1.238927 -0.000285
C 0.786554 1.261929 0.000727
C 1.455672 0.007152 0.000630
C 1.463633 -2.584803 -0.015171
C 1.508346 2.596274 0.011270
H -4.524142 -0.812798 1.258237
H -3.039237 -1.805648 1.277826
H -3.091908 -0.269460 2.187603
H -3.036714 -1.752754 -1.346622
H -4.521250 -0.760473 -1.291172
H -3.086327 -0.180984 -2.194068
H -4.639058 1.346722 0.029980
H -3.243260 1.988471 0.935899
H -3.247665 2.021345 -0.858154
H -1.188488 -2.139606 -0.039248
H -1.150842 2.198670 0.042456
H 1.910459 -2.808531 0.968614
H 0.744881 -3.382490 -0.267060
H 2.290753 -2.619566 -0.745988
H 2.337112 2.620150 0.740648
H 1.957535 2.809832 -0.973830
H 0.802838 3.406281 0.261067


