%chk=000194350.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194350

0 1
O 1.693094 -1.923949 -0.077324
O 4.163570 -2.976314 -1.019731
O -2.133682 2.220861 -2.026000
O -3.953232 1.002011 -0.068866
N 4.253796 0.413100 0.455952
N -3.756844 -1.104375 0.830480
C 4.345756 -1.073536 0.468406
C 3.883739 -1.576194 -0.919632
C 3.120384 0.933306 1.280526
C 2.756473 2.357161 0.807501
C 2.398430 -1.305390 -1.199870
C 1.446795 2.366621 0.068192
C 0.237993 2.300207 0.782976
C 1.422247 2.414458 -1.334733
C 0.340057 -1.687540 0.029195
C -0.982490 2.259437 0.113781
C 0.213436 2.380952 -2.029044
C -0.977799 2.292229 -1.290775
C -0.433571 -0.978421 -0.897885
C -0.226450 -2.239344 1.197407
C -2.361104 -1.304501 0.534730
C -1.791448 -0.788705 -0.640013
C -1.578767 -2.041146 1.448624
C -4.467123 0.061898 0.516850
C -5.904562 0.054472 0.954810
H 5.389126 -1.415550 0.635300
H 3.729186 -1.553262 1.258903
H 4.509612 -1.137603 -1.734158
H 2.240501 0.257178 1.160521
H 3.354941 0.944883 2.365387
H 3.564275 2.766491 0.164276
H 2.707678 3.040331 1.678024
H 5.135874 0.823091 0.774357
H 2.058978 -1.797204 -2.126690
H 2.183747 -0.218284 -1.216932
H 0.253436 2.270771 1.871578
H 2.358527 2.474299 -1.889912
H 3.544937 -3.492138 -0.457094
H -1.924781 2.179654 0.654320
H 0.174154 2.423310 -3.113708
H 0.000476 -0.551653 -1.800424
H 0.401730 -2.800184 1.885231
H -2.400591 -0.215401 -1.346748
H -2.022768 -2.448701 2.355188
H -4.209409 -1.848434 1.358913
H -2.937052 2.074441 -1.437286
H -6.013874 -0.017234 2.044965
H -6.480661 -0.762583 0.499885
H -6.393236 0.995987 0.648345


%chk=000194350-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194350

0 1
O 1.546510 -2.262090 -0.073698
O 4.117212 -3.202749 -0.544387
O -2.103428 2.110786 -1.619616
O -4.076760 1.000504 -0.154523
N 3.980637 0.514873 0.130153
N -3.969845 -1.207719 0.628148
C 4.173428 -0.914946 0.437839
C 3.791675 -1.789683 -0.785478
C 3.693697 1.423786 1.256949
C 3.107336 2.779733 0.773989
C 2.316735 -1.614598 -1.164931
C 1.723883 2.655577 0.152120
C 0.585328 2.420993 0.965832
C 1.524761 2.733564 -1.250029
C 0.171203 -2.011374 -0.000388
C -0.699332 2.245388 0.410073
C 0.247637 2.563523 -1.825915
C -0.872460 2.302459 -0.998526
C -0.554703 -1.281544 -0.972189
C -0.494279 -2.527157 1.140304
C -2.582473 -1.494323 0.380182
C -1.928671 -1.033329 -0.784200
C -1.861126 -2.260095 1.332949
C -4.630511 -0.019223 0.366089
C -6.108043 0.006564 0.739512
H 5.208905 -1.189894 0.741521
H 3.503548 -1.178495 1.277907
H 4.412496 -1.500949 -1.654201
H 2.947216 0.926762 1.905837
H 4.590038 1.628095 1.894409
H 3.812638 3.238116 0.051981
H 3.074810 3.455432 1.652435
H 4.701292 0.889761 -0.499483
H 2.082666 -2.122904 -2.119723
H 2.082264 -0.534864 -1.211747
H 0.702178 2.373539 2.056821
H 2.383711 2.927877 -1.904491
H 3.403214 -3.567394 0.041463
H -1.565798 2.060462 1.055841
H 0.095996 2.625854 -2.908389
H -0.065226 -0.880965 -1.862917
H 0.077713 -3.101884 1.874844
H -2.474949 -0.466316 -1.540251
H -2.360818 -2.623454 2.239187
H -4.504424 -1.930740 1.114530
H -2.812702 1.769427 -0.989650
H -6.442334 -0.889316 1.290486
H -6.711436 0.100239 -0.180440
H -6.305906 0.902196 1.351568


