%chk=000188439.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188439

0 1
O -4.702340 0.542552 0.000212
O 2.604955 2.516979 0.000644
N 0.230946 1.072639 0.000202
N 3.381887 -0.960860 0.000281
C -0.852388 -0.980519 0.000219
C 0.573526 -1.233281 0.000253
C 1.216214 0.069807 0.000205
C -1.032200 0.448378 0.000212
C 2.616025 0.166633 0.000181
C -1.976888 -1.816455 0.000201
C -2.299552 1.045031 0.000189
C 1.375365 -2.361495 0.000313
C -3.384513 0.164906 0.000220
C -3.241506 -1.250956 0.000221
C 2.777494 -2.169820 0.000340
C 3.289626 1.509076 0.000074
C 4.778983 1.542743 0.000080
C -5.010422 1.959279 0.000298
H 0.440486 2.066173 0.000182
H -1.850419 -2.899223 0.000253
H -2.414358 2.120018 0.000167
H 0.951414 -3.362316 0.000328
H -4.140404 -1.863336 0.000245
H 3.451527 -3.034641 0.000407
H 5.192059 1.016272 -0.876250
H 5.192164 1.014659 0.875405
H 5.165990 2.570533 0.000967
H -4.622008 2.431385 0.907203
H -6.108492 1.948237 0.000462
H -4.622273 2.431405 -0.906711


%chk=000188439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188439

0 1
O -4.756075 0.578352 0.000236
O 2.521860 2.545542 0.000625
N 0.232525 1.010558 0.000245
N 3.425194 -0.962541 0.000295
C -0.853280 -1.027287 0.000263
C 0.581910 -1.269372 0.000259
C 1.214126 0.028205 0.000293
C -1.033379 0.399656 0.000264
C 2.627048 0.155675 0.000330
C -1.998350 -1.862890 0.000258
C -2.306695 1.006579 0.000251
C 1.424022 -2.400028 0.000236
C -3.425668 0.139783 0.000250
C -3.274529 -1.281346 0.000255
C 2.829225 -2.189554 0.000246
C 3.261661 1.503057 0.000420
C 4.771691 1.594086 0.000081
C -4.998902 2.023378 0.000241
H 0.487836 2.002783 0.000196
H -1.896829 -2.953248 0.000255
H -2.413316 2.094281 0.000239
H 1.025983 -3.419747 0.000207
H -4.182234 -1.891126 0.000249
H 3.511975 -3.046203 0.000227
H 5.186020 1.071701 -0.880640
H 5.186526 1.070614 0.879903
H 5.079464 2.650681 0.000594
H -4.576851 2.500965 0.905760
H -6.093212 2.130276 0.000239
H -4.576849 2.500971 -0.905275


