%chk=000268731.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268731

0 1
O 0.503210 -0.249637 1.947739
O 1.440914 -3.902110 -0.848309
O -2.865478 -2.541276 -0.192035
N -1.199840 -1.304217 0.853102
N -0.698171 -3.225299 -0.515032
C 1.171474 -1.713314 0.146815
C 1.522204 -0.777002 -1.034091
C 0.186680 -1.017356 1.072454
C 0.707075 -3.038536 -0.428922
C -2.218070 -0.402296 1.486488
C 2.370189 0.387885 -0.597505
C -1.688080 -2.349536 0.023163
C -2.451746 0.801197 0.608282
C 1.787655 1.646013 -0.388873
C 3.750496 0.217502 -0.411533
C -1.711903 1.973862 0.815787
C -3.400976 0.741913 -0.421952
C 2.583887 2.726347 0.002368
C 4.540459 1.301101 -0.019686
C 3.959431 2.556745 0.187021
C -1.934522 3.088930 0.003433
C -3.618974 1.859971 -1.231074
C -2.888743 3.034152 -1.017972
H 2.113292 -1.905545 0.741741
H 0.591790 -0.425835 -1.528937
H 2.066377 -1.361025 -1.811994
H -1.839978 -0.106183 2.495414
H -3.161768 -0.977269 1.646283
H -1.047538 -4.071256 -0.994202
H 0.714637 1.785094 -0.521933
H 4.209090 -0.756608 -0.572377
H -0.961378 2.011709 1.607926
H -3.961727 -0.179773 -0.592808
H 2.129223 3.702050 0.166625
H 5.611383 1.166728 0.125686
H 4.576826 3.399092 0.493239
H -1.365522 4.002448 0.168405
H -4.359228 1.815965 -2.028702
H -3.063149 3.905167 -1.647432


%chk=000268731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268731

0 1
O 0.540208 -0.280746 1.960705
O 1.493038 -4.052291 -0.787163
O -2.878874 -2.567762 -0.265057
N -1.181652 -1.315526 0.773314
N -0.673275 -3.256773 -0.526902
C 1.200784 -1.819902 0.185839
C 1.622117 -0.896116 -1.038153
C 0.192914 -1.093844 1.066859
C 0.719505 -3.145327 -0.386579
C -2.201860 -0.428393 1.425612
C 2.417916 0.331042 -0.628878
C -1.657339 -2.373864 -0.030191
C -2.474218 0.834083 0.616712
C 1.820799 1.615705 -0.607977
C 3.786277 0.206379 -0.274751
C -1.770241 2.032452 0.899310
C -3.438876 0.824290 -0.423899
C 2.574982 2.753440 -0.242418
C 4.541038 1.340116 0.094721
C 3.936645 2.619498 0.111303
C -2.024533 3.203357 0.149379
C -3.690653 1.994454 -1.174526
C -2.984289 3.186952 -0.889741
H 2.106055 -2.008039 0.785514
H 0.710597 -0.606646 -1.593095
H 2.227871 -1.542997 -1.700033
H -1.797545 -0.179510 2.419760
H -3.115985 -1.032984 1.533465
H -1.037783 -4.081041 -1.015877
H 0.763099 1.729564 -0.876028
H 4.264145 -0.781804 -0.296312
H -1.022640 2.040369 1.701033
H -3.984136 -0.101881 -0.640700
H 2.100573 3.741244 -0.234483
H 5.597408 1.229326 0.363934
H 4.522196 3.501049 0.395303
H -1.481677 4.127090 0.379891
H -4.439123 1.979058 -1.974642
H -3.183968 4.095778 -1.468646


