%chk=000266833.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266833

0 1
O 0.084475 1.581067 -2.261631
O -0.811503 2.295169 -0.428986
O 5.062786 -1.089469 0.446608
O 4.695664 0.142249 -1.294224
N -1.162106 -0.328135 1.089594
N -0.084303 1.543935 -1.054889
N 4.334322 -0.425303 -0.275658
C 0.178751 -0.202731 0.807476
C -1.650575 -1.029766 2.320211
C -2.211785 -0.027549 0.125414
C 0.696389 0.553548 -0.296157
C 1.141993 -0.879691 1.637002
C -1.811644 -2.527494 2.088708
C 2.045402 0.445805 -0.665324
C 2.928360 -0.304610 0.109745
C -2.300419 -0.788073 -1.051588
C -3.140552 0.984539 0.412169
C 2.469814 -0.935771 1.296845
C -3.334292 -0.520431 -1.952013
C -4.169663 1.233393 -0.499799
C -4.268638 0.483984 -1.676936
H -0.950376 -0.828133 3.163585
H -2.627703 -0.574265 2.608521
H 0.806537 -1.371452 2.551254
H -2.533333 -2.740642 1.287471
H -0.867938 -3.010630 1.804151
H -2.176661 -3.028605 2.994438
H 2.412715 0.969924 -1.565038
H 3.196499 -1.472244 1.921662
H -1.570951 -1.567615 -1.267444
H -3.039183 1.592004 1.311221
H -3.407595 -1.095225 -2.875941
H -4.890297 2.026182 -0.295964
H -5.069592 0.690235 -2.386785


%chk=000266833-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266833

0 1
O 0.277678 2.036432 -2.093343
O -0.855092 2.347906 -0.136017
O 5.131350 -1.266403 0.285952
O 4.757646 0.239556 -1.394880
N -1.157556 -0.285328 1.095456
N -0.001517 1.716174 -0.872794
N 4.361319 -0.470987 -0.388375
C 0.195225 -0.242727 0.774336
C -1.608524 -0.829915 2.409735
C -2.192043 -0.049359 0.111317
C 0.751028 0.600278 -0.260464
C 1.134244 -1.085980 1.463616
C -2.011269 -2.319523 2.356101
C 2.094321 0.502088 -0.662356
C 2.954016 -0.376193 0.017229
C -2.108245 -0.676697 -1.157695
C -3.312798 0.756815 0.426922
C 2.480898 -1.152603 1.105363
C -3.139483 -0.491058 -2.103224
C -4.345932 0.924677 -0.518173
C -4.264771 0.303819 -1.786393
H -0.814553 -0.651663 3.154493
H -2.478163 -0.230557 2.729343
H 0.777550 -1.738077 2.263435
H -2.829288 -2.475976 1.631656
H -1.166458 -2.966251 2.060781
H -2.366883 -2.648399 3.349259
H 2.472719 1.136259 -1.468489
H 3.176178 -1.815998 1.626501
H -1.249949 -1.313438 -1.398306
H -3.352840 1.288869 1.382600
H -3.066637 -0.976512 -3.082255
H -5.203241 1.560338 -0.272551
H -5.064332 0.444631 -2.521083


