%chk=000196306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196306

0 1
O 2.033281 1.640364 -1.578053
O 1.171145 -1.537430 -0.120429
O 1.757058 2.928144 0.685325
O -2.530672 -1.789103 0.632062
O -2.628346 1.758542 0.197105
O 3.951927 -1.763740 -0.940235
N -0.866769 0.311309 0.359773
C 1.147552 0.642722 -1.063924
C 0.126982 1.306536 -0.082746
C 0.808208 1.948161 1.164010
C 2.048917 -0.420749 -0.358981
C 0.459142 0.071521 -2.299017
C -0.185599 2.596377 2.110238
C -2.211933 0.632523 0.432194
C 3.221962 -0.853362 -1.253735
C -3.157521 -0.510793 0.862628
C 1.672203 -2.497809 0.838498
C -3.390755 -0.464983 2.363788
C -2.657504 -2.279754 -0.717977
H -0.398365 2.129760 -0.651761
H 1.474598 1.223674 1.688759
H 2.449554 -0.030553 0.605019
H -0.412765 0.666359 -2.597130
H 0.128450 -0.962489 -2.127813
H 1.143831 0.074621 -3.159330
H -0.533807 -0.656079 0.507294
H -1.011494 3.097164 1.578773
H 0.303557 3.337846 2.754168
H -0.658810 1.854121 2.766353
H 2.377297 2.247291 -0.854282
H 3.357323 -0.264693 -2.176156
H 1.302339 3.755193 0.411617
H -4.105699 -0.427864 0.285240
H 1.747485 -2.041995 1.828201
H 2.640718 -2.897210 0.506824
H 0.897691 -3.273652 0.813871
H -3.774659 0.513989 2.679662
H -2.466380 -0.670360 2.920309
H -4.117268 -1.231117 2.667779
H -2.196698 -1.587843 -1.429105
H -2.099834 -3.224437 -0.678878
H -3.708542 -2.461101 -0.960738


%chk=000196306-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196306

0 1
O 1.985354 1.757935 -1.620132
O 1.263251 -1.379971 0.238450
O 1.891871 2.788656 0.840369
O -2.525378 -1.847997 0.670744
O -2.732331 1.766371 0.025189
O 3.155915 -2.201969 -1.753879
N -0.921322 0.310462 0.314047
C 1.123691 0.683717 -1.105570
C 0.116596 1.279550 -0.053593
C 0.804653 1.831252 1.234848
C 2.079119 -0.392043 -0.458382
C 0.377443 0.106616 -2.317058
C -0.169026 2.515345 2.200408
C -2.260885 0.619571 0.310310
C 2.999173 -0.977792 -1.532655
C -3.187427 -0.535475 0.763314
C 2.016154 -2.315904 1.092985
C -3.606187 -0.341056 2.229299
C -2.582304 -2.426407 -0.678946
H -0.392523 2.127633 -0.555801
H 1.338556 1.015037 1.753679
H 2.740284 0.144685 0.266059
H -0.420965 0.796757 -2.639055
H -0.063560 -0.876531 -2.084434
H 1.085488 -0.010127 -3.155870
H -0.620715 -0.650850 0.528653
H -0.730470 3.323392 1.694688
H 0.379517 2.930120 3.065277
H -0.913258 1.796052 2.580024
H 2.219688 2.331669 -0.824359
H 3.542015 -0.195170 -2.115498
H 1.546607 3.713013 0.918525
H -4.082873 -0.503748 0.107604
H 2.660322 -1.761038 1.807142
H 2.629099 -2.995236 0.477820
H 1.254829 -2.885271 1.648597
H -4.052072 0.659018 2.364731
H -2.729684 -0.438793 2.894426
H -4.344626 -1.108669 2.514920
H -2.115070 -1.761291 -1.433083
H -2.020359 -3.371763 -0.628377
H -3.630788 -2.630649 -0.976215


