%chk=000186166.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186166

0 1
O -0.711890 -0.703903 -1.964892
O 2.427451 3.638348 0.673508
O 3.751993 -3.158836 -0.455046
O 4.457400 2.900587 0.853153
O 5.378804 -1.816310 0.043860
N -1.340315 0.003233 0.140865
N 3.272496 2.763012 0.618106
N 4.211998 -2.062840 -0.195465
C -2.768214 -0.194010 -0.001536
C -3.512568 0.543922 -0.946780
C -3.400864 -1.115133 0.866447
C -2.884330 1.530433 -1.893312
C -2.624710 -1.923641 1.872828
C -4.902853 0.350906 -0.999734
C -4.789673 -1.273771 0.789787
C -5.535765 -0.545814 -0.140082
C -0.418709 -0.303730 -0.856712
C -2.515092 2.834986 -1.190361
C -2.435036 -1.157316 3.181072
C 1.015972 -0.067185 -0.443594
C 1.913201 -1.141049 -0.495309
C 1.454534 1.211019 -0.090116
C 2.808054 1.404845 0.235396
C 3.258772 -0.922557 -0.159430
C 3.725820 0.347963 0.203393
H -1.991463 1.078052 -2.381024
H -3.573823 1.746875 -2.736921
H -3.152969 -2.880208 2.077487
H -1.644311 -2.233912 1.457904
H -5.494195 0.912746 -1.722484
H -5.291966 -1.973009 1.456742
H -1.029865 0.226899 1.086964
H -6.615718 -0.681009 -0.194231
H -3.400673 3.321471 -0.762510
H -2.057251 3.543462 -1.890530
H -1.808176 2.671329 -0.370547
H -1.892093 -0.217778 3.037673
H -1.880399 -1.755544 3.913604
H -3.402399 -0.901016 3.633794
H 1.576419 -2.144303 -0.800874
H 0.761536 2.065204 -0.069530
H 4.788366 0.510482 0.455240


%chk=000186166-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186166

0 1
O -0.671176 -1.074890 -1.840132
O 2.173144 2.881359 2.239414
O 4.047315 -2.507652 -2.079009
O 4.379920 2.364257 1.971060
O 5.656625 -1.301987 -0.999118
N -1.382730 -0.055073 0.151529
N 3.129274 2.180644 1.729724
N 4.429112 -1.567500 -1.287364
C -2.811134 -0.232159 0.008670
C -3.514642 0.335595 -1.094011
C -3.484227 -0.959834 1.035535
C -2.844159 1.193996 -2.157506
C -2.732608 -1.545284 2.225271
C -4.914909 0.122890 -1.158229
C -4.885645 -1.126126 0.937114
C -5.600574 -0.595737 -0.156987
C -0.417443 -0.476205 -0.752405
C -2.418130 2.593139 -1.635219
C -2.495826 -0.517417 3.367297
C 1.016843 -0.178970 -0.358280
C 2.023619 -0.970174 -0.963713
C 1.386971 0.861162 0.525241
C 2.753916 1.077136 0.799532
C 3.372705 -0.721658 -0.654791
C 3.775337 0.299085 0.227977
H -1.969829 0.666861 -2.577604
H -3.555902 1.333579 -2.992291
H -3.315659 -2.389679 2.635380
H -1.762562 -1.966647 1.898090
H -5.469953 0.541827 -2.005686
H -5.410968 -1.691060 1.716194
H -1.062298 0.239318 1.077106
H -6.683509 -0.742934 -0.230645
H -3.289011 3.156817 -1.254742
H -1.955663 3.183122 -2.447304
H -1.682510 2.512027 -0.814789
H -1.900426 0.356448 3.036122
H -1.958793 -0.984735 4.212237
H -3.457146 -0.124610 3.742765
H 1.742693 -1.754295 -1.673035
H 0.657968 1.536945 0.982730
H 4.829484 0.481320 0.450676


