%chk=000213419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213419

0 1
O -1.202073 1.040786 2.366639
O 0.442722 1.318010 0.297767
O 2.739496 -0.042937 0.749810
N -2.930121 -0.012193 -0.718935
C -4.374783 -0.151667 -0.331377
C -2.708569 -1.049302 -1.781819
C -4.823000 -1.596121 -0.648043
C -3.741550 -2.179333 -1.576199
C -2.010710 -0.192035 0.444976
C -1.759791 1.201504 1.060347
C -0.815116 2.055124 0.192364
C 1.537600 1.787446 -0.376140
C 2.708307 1.003202 -0.176042
C 1.588508 2.907957 -1.207144
C 3.905797 1.339180 -0.799083
C 2.803038 3.242320 -1.824612
C 1.830473 -1.090390 0.554433
C 3.948604 2.472960 -1.624580
C 1.337634 -1.677693 1.741805
C 1.498786 -1.569075 -0.715955
C 0.499557 -2.790843 1.608584
C 1.709124 -1.136658 3.079401
C 0.657338 -2.681525 -0.811449
C 0.160378 -3.288854 0.344476
H -4.939303 0.578517 -0.949361
H -4.549394 0.115788 0.726041
H -1.669275 -1.426879 -1.781875
H -2.870146 -0.540942 -2.756214
H -4.915413 -2.193268 0.273977
H -5.814926 -1.607169 -1.127050
H -4.168062 -2.507796 -2.537103
H -3.270604 -3.067092 -1.122851
H -2.396996 -0.875437 1.230164
H -1.039388 -0.629514 0.114459
H -2.709624 1.751107 1.254887
H -1.137968 2.086025 -0.862516
H -0.664200 3.065141 0.604408
H -0.282151 0.680263 2.304699
H 0.709260 3.522180 -1.376186
H 4.791874 0.727886 -0.630021
H 2.844517 4.120187 -2.469538
H 4.883907 2.746508 -2.108744
H 1.893061 -1.086217 -1.607082
H 0.104435 -3.273083 2.502271
H 0.846479 -1.071553 3.755516
H 2.462823 -1.773071 3.566523
H 2.152453 -0.129378 3.002036
H 0.397600 -3.077242 -1.791896
H -0.491209 -4.156326 0.265834


%chk=000213419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213419

0 1
O -1.498774 1.424123 2.373145
O 0.322747 1.379744 0.289798
O 2.634011 0.020649 0.893944
N -2.985815 0.042189 -0.826307
C -4.474954 0.133766 -0.716647
C -2.778076 -1.177110 -1.661531
C -5.025994 -1.342505 -0.686094
C -3.819867 -2.221805 -1.151044
C -2.298763 0.005299 0.494763
C -1.963977 1.437964 0.978705
C -0.936577 2.128981 0.074218
C 1.481630 1.804962 -0.358453
C 2.663443 1.061194 -0.068571
C 1.556339 2.899528 -1.251563
C 3.894543 1.424523 -0.640196
C 2.797597 3.255145 -1.829714
C 1.924314 -1.177511 0.605911
C 3.968088 2.527341 -1.524385
C 1.623716 -1.989377 1.733460
C 1.586160 -1.564290 -0.708462
C 0.958577 -3.214791 1.490845
C 2.006988 -1.538231 3.127515
C 0.922586 -2.794438 -0.916811
C 0.605623 -3.623681 0.182471
H -4.867559 0.666035 -1.603546
H -4.759307 0.713999 0.178428
H -1.733113 -1.521962 -1.596188
H -2.992061 -0.918381 -2.717656
H -5.363167 -1.628306 0.325412
H -5.891560 -1.447920 -1.364172
H -4.102246 -2.950740 -1.930993
H -3.397362 -2.784772 -0.298975
H -2.901014 -0.482673 1.293181
H -1.356091 -0.563442 0.393878
H -2.884226 2.049726 0.991350
H -1.255966 2.052871 -0.982210
H -0.789690 3.183806 0.376086
H -0.568132 1.076056 2.362201
H 0.659095 3.477389 -1.490957
H 4.781188 0.838123 -0.379832
H 2.843797 4.107564 -2.515943
H 4.928457 2.809145 -1.967290
H 1.841391 -0.917542 -1.554225
H 0.714212 -3.856038 2.346265
H 1.638435 -2.246451 3.888815
H 3.104235 -1.450909 3.232224
H 1.596838 -0.535750 3.350002
H 0.666079 -3.103998 -1.936379
H 0.093604 -4.578998 0.025130


