%chk=000294761.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294761

0 1
O 4.032996 -1.613509 -0.000016
O -4.033275 -1.612852 -0.000195
O -1.080924 4.776176 0.000002
O 1.081685 4.776000 -0.000262
O 1.844103 -2.287986 0.000162
O -1.844492 -2.287685 -0.000384
N 2.476066 -0.010610 0.000044
N -2.476084 -0.010207 -0.000215
N 0.000335 4.212342 -0.000091
C 1.211421 0.636274 -0.000030
C -1.211333 0.636472 -0.000142
C -0.000014 -0.072534 -0.000087
C 0.000213 2.716423 -0.000089
C 1.223614 2.050765 -0.000037
C -1.223296 2.050964 -0.000138
C 2.670075 -1.406544 0.000061
C -2.670321 -1.406109 -0.000256
C 4.456179 -3.030515 0.000076
C -4.456689 -3.029789 -0.000337
C 5.964466 -2.938621 -0.000010
C -5.964962 -2.937649 -0.000164
H -0.000104 -1.181290 -0.000090
H 2.156297 2.619913 -0.000007
H -2.155886 2.620264 -0.000170
H 3.316658 0.579929 0.000011
H -3.316580 0.580470 -0.000167
H 4.036602 -3.501923 0.905715
H 4.036507 -3.502064 -0.905446
H -4.037238 -3.501214 -0.906025
H -4.037045 -3.501457 0.905137
H 6.336946 -2.397748 0.881637
H 6.336854 -2.397891 -0.881784
H 6.421320 -3.936584 0.000047
H -6.421978 -3.935538 -0.000232
H -6.337212 -2.396891 0.881651
H -6.337403 -2.396683 -0.881769


%chk=000294761-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294761

0 1
O 4.145229 -1.557417 -0.000028
O -4.145500 -1.556741 -0.000192
O -1.139218 4.789040 0.000077
O 1.139984 4.788854 0.000115
O 1.923302 -2.342663 -0.000042
O -1.923699 -2.342345 -0.000183
N 2.483903 -0.033832 -0.000081
N -2.483927 -0.033424 -0.000153
N 0.000334 4.182173 -0.000054
C 1.223935 0.609233 -0.000110
C -1.223855 0.609435 -0.000147
C -0.000019 -0.110183 -0.000131
C 0.000212 2.695852 -0.000142
C 1.235132 2.027033 -0.000120
C -1.234819 2.027236 -0.000157
C 2.749604 -1.400379 -0.000055
C -2.749849 -1.399929 -0.000156
C 4.625876 -2.971457 0.000022
C -4.626375 -2.970704 -0.000247
C 6.149786 -2.915453 0.000055
C -6.150276 -2.914452 -0.000241
H -0.000110 -1.202231 -0.000128
H 2.161853 2.607740 -0.000095
H -2.161445 2.608095 -0.000163
H 3.315604 0.561075 -0.000077
H -3.315532 0.561618 -0.000155
H 4.219933 -3.475938 0.895278
H 4.219974 -3.475987 -0.895225
H -4.220537 -3.475237 -0.895521
H -4.220531 -3.475311 0.894982
H 6.526352 -2.392534 0.895483
H 6.526393 -2.392582 -0.895383
H 6.558333 -3.942281 0.000092
H -6.558991 -3.941213 -0.000279
H -6.526775 -2.391530 0.895213
H -6.526781 -2.391461 -0.895652


