%chk=000209781.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209781

0 1
O -4.308341 -0.081858 0.698906
O 0.959435 -3.238408 -0.956149
O -0.738112 3.278248 -1.159580
O 3.532201 -1.103733 0.642087
N -2.069902 -0.408558 0.496755
C -3.022545 1.893388 0.275805
C -1.765822 2.536518 0.857951
C -2.201843 -1.879346 0.648827
C -1.334959 -2.630586 -0.369226
C -3.201236 0.403659 0.512519
C -0.650887 2.570061 -0.180204
C 0.498975 1.650603 0.029353
C 0.106431 -2.798938 0.115021
C 1.059667 1.429236 1.300879
C 1.033602 0.993950 -1.092309
C 2.091237 0.517005 1.466994
C 2.050992 0.054064 -0.948839
C 2.563383 -0.189152 0.336022
C 3.919462 -2.048843 -0.392597
H -3.924353 2.396493 0.698912
H -3.093219 2.089524 -0.819583
H -1.464319 2.033669 1.795684
H -1.995359 3.586237 1.148933
H -3.279062 -2.159068 0.520998
H -1.930334 -2.161775 1.691265
H -1.788993 -3.619711 -0.575172
H -1.338408 -2.106317 -1.348756
H -1.139312 -0.048776 0.311902
H 0.187091 -3.517840 0.949408
H 0.569184 -1.836908 0.410013
H 0.682280 1.978397 2.165879
H 0.632584 1.218781 -2.085736
H 2.542984 0.330407 2.439066
H 2.429670 -0.477716 -1.817793
H 0.638592 -4.082042 -1.329239
H 4.424394 -1.527238 -1.208875
H 3.036146 -2.608243 -0.739105
H 4.612993 -2.701684 0.151284


%chk=000209781-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209781

0 1
O -4.557517 0.007278 0.189609
O 0.926282 -3.202534 -0.788433
O -1.002031 2.683989 -1.429356
O 3.855512 -1.059225 0.610728
N -2.314812 -0.398670 0.649993
C -3.145037 1.966955 0.482694
C -1.732720 2.483297 0.869181
C -2.465534 -1.863638 0.575800
C -1.465346 -2.535419 -0.397340
C -3.391502 0.450808 0.430078
C -0.722286 2.254664 -0.268263
C 0.524170 1.468873 -0.018888
C -0.036737 -2.629588 0.172695
C 1.066424 1.236161 1.280536
C 1.184319 0.890398 -1.138964
C 2.201307 0.427581 1.453010
C 2.297548 0.050758 -0.979075
C 2.798321 -0.202335 0.327831
C 4.323879 -1.943150 -0.473496
H -3.898897 2.372653 1.181768
H -3.402736 2.364684 -0.516613
H -1.405394 2.049358 1.829771
H -1.814329 3.577611 1.015227
H -3.504406 -2.037000 0.246431
H -2.360506 -2.307717 1.588234
H -1.834972 -3.559166 -0.615769
H -1.449520 -1.980235 -1.353426
H -1.384981 -0.012309 0.822609
H -0.044375 -3.222130 1.113746
H 0.374424 -1.632390 0.396654
H 0.616653 1.702770 2.163452
H 0.775966 1.094209 -2.134374
H 2.627046 0.241671 2.443377
H 2.748047 -0.424285 -1.853960
H 0.587764 -4.084596 -1.087275
H 4.814474 -1.360962 -1.276273
H 3.475974 -2.528839 -0.874431
H 5.059826 -2.606033 0.003813


