%chk=000299433.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299433

0 1
O -2.643510 1.164095 0.513484
O -0.993168 2.646606 0.982050
O 3.902617 -1.518310 0.635965
O 5.060699 0.921718 -0.305104
N -0.520723 0.533826 -0.006068
C -2.773466 -0.191195 -0.097214
C -3.350538 -1.103492 0.986839
C -3.663333 -0.020828 -1.329794
C -4.795810 -0.721126 1.330188
C -5.101750 0.338633 -0.937320
C -5.674146 -0.662779 0.073919
C -1.326014 -0.556205 -0.461546
C -1.327134 1.578175 0.551264
C -0.923190 -1.651117 -1.103991
C 0.917935 0.584753 -0.056746
C 1.668254 -0.537152 0.346214
C 1.545806 1.760919 -0.485740
C 3.059553 -0.480152 0.285841
C 2.940337 1.815948 -0.533825
C 3.709156 0.704950 -0.162620
C 3.300375 -2.709155 1.200431
C 5.968713 -0.105712 0.164329
H -2.722422 -1.045777 1.898396
H -3.303448 -2.154765 0.639922
H -3.648864 -0.957025 -1.922455
H -3.245720 0.769227 -1.986392
H -5.211907 -1.441387 2.058150
H -4.799214 0.269072 1.833129
H -5.114100 1.359042 -0.499152
H -5.737754 0.380378 -1.840539
H -5.752604 -1.666333 -0.384676
H -6.705305 -0.370956 0.349424
H 0.104221 -1.848281 -1.373995
H -1.601375 -2.425379 -1.425874
H 1.157379 -1.426201 0.707425
H 0.957500 2.637665 -0.762216
H 3.450641 2.723552 -0.860909
H 2.649291 -3.190449 0.465202
H 2.766473 -2.466330 2.123863
H 4.184192 -3.326287 1.407103
H 5.825837 -1.024241 -0.415469
H 5.816811 -0.286093 1.232974
H 6.944806 0.351166 -0.034968


%chk=000299433-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299433

0 1
O -2.595692 1.133659 0.603544
O -0.791058 2.518103 1.150597
O 3.933123 -1.668787 0.557517
O 5.136294 0.651069 -0.587653
N -0.504033 0.448244 -0.014920
C -2.779365 -0.201284 -0.091701
C -3.386926 -1.179392 0.940105
C -3.721915 0.035512 -1.292944
C -4.806918 -0.751483 1.376730
C -5.137892 0.459004 -0.840537
C -5.739385 -0.558529 0.157109
C -1.352554 -0.576500 -0.510879
C -1.231662 1.478777 0.634134
C -0.990399 -1.664008 -1.238929
C 0.930045 0.486232 -0.145174
C 1.697678 -0.615876 0.303447
C 1.559947 1.616220 -0.705323
C 3.104407 -0.596850 0.183328
C 2.966561 1.642314 -0.796590
C 3.755250 0.555770 -0.363068
C 3.285312 -2.878001 1.073068
C 6.052369 0.343516 0.531823
H -2.710830 -1.248849 1.812657
H -3.418026 -2.183189 0.470889
H -3.773951 -0.908292 -1.871804
H -3.273281 0.798015 -1.955854
H -5.222171 -1.510750 2.066569
H -4.737543 0.199036 1.939375
H -5.077674 1.453716 -0.359453
H -5.789891 0.562948 -1.728541
H -5.888832 -1.533503 -0.353071
H -6.736278 -0.216061 0.493467
H 0.046997 -1.853569 -1.524255
H -1.748139 -2.372635 -1.581281
H 1.185722 -1.474884 0.744866
H 0.964768 2.471254 -1.035134
H 3.488670 2.507629 -1.215252
H 2.591347 -3.309186 0.325846
H 2.739744 -2.673568 2.014647
H 4.107127 -3.582845 1.266296
H 5.972713 -0.713680 0.830405
H 5.835136 0.999433 1.396800
H 7.056304 0.564269 0.138642


