%chk=000206579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206579

2 1
O 2.893342 0.139515 0.967994
O -2.893243 -0.136444 0.968373
O 1.777444 1.935329 0.165914
O -1.777582 -1.935001 0.172131
N 5.805083 0.178350 -0.372788
N -5.805096 -0.180322 -0.372084
C 4.875179 1.303792 0.084472
C -4.875113 -1.304034 0.089240
C 6.762689 -0.200061 0.734769
C 4.999347 -1.033280 -0.782289
C 6.603944 0.669111 -1.563131
C -6.762647 0.202105 0.734132
C -4.999450 1.029835 -0.786079
C -6.604008 -0.675478 -1.560563
C 4.024722 0.978186 1.312469
C -4.024576 -0.973890 1.315968
C 1.746853 0.778161 0.491272
C -1.746879 -0.776750 0.493592
C 0.635490 -0.205407 0.477576
C -0.635487 0.206733 0.476335
H 5.486995 2.218360 0.295924
H 4.197680 1.592830 -0.761493
H -5.486877 -2.217843 0.304099
H -4.197667 -1.596165 -0.755708
H 7.346339 0.669993 1.093469
H 6.237996 -0.633080 1.608249
H 7.498407 -0.959713 0.400165
H 4.375659 -0.829131 -1.672281
H 5.648448 -1.895618 -1.029068
H 4.309757 -1.357928 0.026113
H 5.952502 0.983332 -2.401016
H 7.247289 1.533154 -1.305149
H 7.275764 -0.119081 -1.959463
H -7.346239 -0.666654 1.096051
H -6.237920 0.638345 1.605987
H -7.498416 0.960494 0.396787
H -4.375807 0.822449 -1.675353
H -5.648614 1.891223 -1.035987
H -4.309835 1.357489 0.021087
H -5.952604 -0.992734 -2.397333
H -7.247290 -1.538602 -1.299372
H -7.275893 0.111224 -1.959732
H 4.536865 0.365375 2.081877
H 3.655554 1.920602 1.778563
H -4.536684 -0.358275 2.083161
H -3.655336 -1.914571 1.785488
H 0.929674 -1.266023 0.489338
H -0.929656 1.267398 0.483397


%chk=000206579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206579

2 1
O 2.995700 0.151232 1.028590
O -2.996418 -0.148322 1.029161
O 1.635886 2.045126 0.776626
O -1.636240 -2.043192 0.786572
N 5.858320 0.211572 -0.469722
N -5.858213 -0.213793 -0.468435
C 5.012884 1.368070 0.123424
C -5.013865 -1.368516 0.129633
C 6.684832 -0.485139 0.612465
C 4.964401 -0.818330 -1.166928
C 6.813327 0.822567 -1.502374
C -6.685656 0.487144 0.610300
C -4.962835 0.813134 -1.168141
C -6.812251 -0.827962 -1.500093
C 4.141969 1.043565 1.339809
C -4.142571 -1.039382 1.344453
C 1.743776 0.803097 0.848343
C -1.744371 -0.800846 0.852166
C 0.651512 -0.198696 0.802485
C -0.652219 0.200846 0.801406
H 5.735764 2.149044 0.420988
H 4.396216 1.764635 -0.700754
H -5.737278 -2.147732 0.430501
H -4.397507 -1.768933 -0.692911
H 7.231527 0.270445 1.197510
H 6.022129 -1.069296 1.266428
H 7.401139 -1.162474 0.123249
H 4.443061 -0.327788 -2.003392
H 5.599177 -1.632371 -1.549452
H 4.231882 -1.205083 -0.445199
H 6.231558 1.402684 -2.234844
H 7.530902 1.480350 -0.988464
H 7.352650 0.011366 -2.014210
H -7.233653 -0.266067 1.197179
H -6.023441 1.073084 1.263151
H -7.400846 1.163299 0.117824
H -4.441272 0.319524 -2.002665
H -5.596553 1.626584 -1.553668
H -4.230493 1.201410 -0.447030
H -6.229922 -1.411204 -2.229641
H -7.530945 -1.483397 -0.984739
H -7.350358 -0.018304 -2.015648
H 4.689477 0.538887 2.150424
H 3.752848 2.008297 1.714729
H -4.689751 -0.531416 2.153231
H -3.753400 -2.002640 1.723099
H 0.919763 -1.260441 0.823058
H -0.920540 1.262663 0.816610


