%chk=000201439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201439

0 1
O 2.723190 1.521527 -0.946012
O -3.883965 -4.227081 0.338729
O -1.209398 4.865960 0.588588
O -3.926117 2.364448 1.683358
O 2.612147 -0.705993 -1.342188
O 5.805185 -2.354172 2.344627
O 6.808395 -0.664658 1.265933
N -3.259306 -2.029624 0.386172
N -1.919209 2.692394 0.534450
C -0.541834 1.039265 -0.681799
C -1.214773 -1.325290 -0.746788
C -2.373932 -1.010306 0.040451
C -1.703549 1.342689 0.109875
C -0.347155 -0.286985 -1.089483
C -2.591804 0.325725 0.449171
C 0.396671 2.089309 -1.025506
C -0.973461 -2.705857 -1.151730
C 0.189592 3.359476 -0.609740
C 1.620564 1.784345 -1.861285
C -1.855544 -3.671799 -0.791944
C -3.052170 -3.413735 -0.011469
C -0.963550 3.746333 0.186636
C 0.233886 -3.034650 -1.961166
C -4.470466 -1.727876 1.192823
C -3.064779 3.126345 1.325095
C 3.129469 0.219044 -0.757452
C 4.269142 0.220439 0.218236
C 4.429233 -1.148111 0.873590
C 5.800478 -1.298654 1.464543
H 0.538509 -0.526404 -1.700995
H -3.482514 0.556494 1.049190
H 0.878853 4.179224 -0.830915
H 1.983825 2.666256 -2.427428
H 1.481778 0.931799 -2.555875
H -1.720815 -4.719101 -1.070103
H 0.090971 -2.753149 -3.016273
H 0.471030 -4.108536 -1.950688
H 1.140145 -2.509333 -1.608214
H -4.197966 -1.318464 2.180084
H -5.050508 -2.660255 1.361001
H -5.127460 -1.012825 0.669637
H -3.041745 4.211532 1.545960
H 5.209069 0.515724 -0.316028
H 4.130767 1.020492 0.982746
H 4.260004 -1.968683 0.131292
H 3.651351 -1.318935 1.653286
H 6.699268 -2.510246 2.756609


%chk=000201439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201439

0 1
O 2.675871 1.538593 -0.617942
O -3.881182 -4.285796 0.464065
O -1.540931 5.072576 0.273498
O -4.227973 2.449936 1.504136
O 2.890602 -0.605585 -1.523010
O 6.125925 -2.799546 1.881457
O 6.914943 -0.681011 1.349307
N -3.304218 -2.004225 0.429345
N -2.136719 2.771449 0.381935
C -0.595293 1.106970 -0.626622
C -1.198855 -1.301804 -0.631711
C -2.415610 -0.985137 0.073565
C -1.830075 1.407114 0.060486
C -0.325980 -0.243193 -0.955501
C -2.713524 0.363565 0.402438
C 0.320922 2.186568 -0.967916
C -0.910669 -2.691634 -0.983284
C -0.009919 3.490939 -0.669360
C 1.649060 1.922118 -1.648861
C -1.815040 -3.661803 -0.607647
C -3.054032 -3.385795 0.118437
C -1.238517 3.873073 0.005095
C 0.343621 -3.047374 -1.751814
C -4.556665 -1.695099 1.153569
C -3.311749 3.193984 1.081042
C 3.239529 0.263181 -0.687197
C 4.323239 0.110660 0.361945
C 4.639729 -1.366001 0.653409
C 5.995463 -1.528116 1.312297
H 0.603832 -0.484194 -1.477453
H -3.634668 0.611737 0.923963
H 0.652136 4.325346 -0.916905
H 2.042797 2.848748 -2.093848
H 1.602759 1.127547 -2.412677
H -1.650807 -4.717116 -0.842908
H 0.345407 -2.576552 -2.753205
H 0.420809 -4.138000 -1.889015
H 1.258162 -2.695472 -1.240690
H -4.340600 -1.215498 2.123995
H -5.074024 -2.650888 1.323091
H -5.201235 -1.028224 0.554921
H -3.312000 4.291229 1.205811
H 5.236746 0.617933 -0.007087
H 4.026423 0.658906 1.272024
H 4.647431 -1.942414 -0.292366
H 3.871387 -1.838522 1.289406
H 7.034993 -2.895074 2.276782


