%chk=000217137.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217137

0 1
O -2.213121 1.886807 1.188495
O 2.309369 2.708092 -0.247493
N 1.344529 0.603734 -0.420714
N -3.282221 0.429797 -0.187143
N -4.277094 -2.193817 0.506987
C -0.963262 1.209702 -0.764373
C -0.020322 0.008256 -0.483300
C -0.110518 2.473620 -0.552086
C -2.163339 1.192766 0.184624
C 1.326493 2.015422 -0.375000
C -4.387745 0.273114 0.802548
C -3.242771 -0.687679 -1.163479
C -4.300364 -1.090750 1.517408
C -3.129304 -2.048186 -0.440109
C 2.472956 -0.226462 -0.085831
C 2.937334 -1.211338 -0.987212
C 3.115065 -0.025343 1.149019
C 4.025340 -2.008906 -0.598725
C 2.318887 -1.414076 -2.331696
C 4.204445 -0.820834 1.503951
C 4.652700 -1.819721 0.634121
H -1.315801 1.181176 -1.822743
H -0.265695 -0.499984 0.474348
H -0.070597 -0.749198 -1.291027
H -0.431648 3.035514 0.358993
H -0.195584 3.188786 -1.388694
H -5.351637 0.361088 0.252331
H -4.344174 1.104138 1.545515
H -2.419473 -0.559086 -1.892925
H -4.197080 -0.657317 -1.745453
H -3.423853 -1.101272 2.200906
H -5.206424 -1.234433 2.147343
H -3.203251 -2.871470 -1.184814
H -2.137751 -2.138793 0.051835
H -4.205137 -3.096220 0.991179
H 2.771447 0.765720 1.817093
H 4.393128 -2.779208 -1.275314
H 3.024382 -1.861795 -3.045702
H 1.447801 -2.079641 -2.276151
H 1.990715 -0.460684 -2.773825
H 4.705191 -0.659785 2.457340
H 5.498586 -2.445438 0.913971


%chk=000217137-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217137

0 1
O -2.263854 1.843322 1.387805
O 2.397439 2.775335 -0.540010
N 1.454382 0.610961 -0.283970
N -3.205172 0.286490 -0.058583
N -4.747545 -2.104011 0.064814
C -0.874376 1.127485 -0.490675
C 0.121042 0.025685 -0.000470
C -0.067924 2.434631 -0.328893
C -2.167633 1.120011 0.343516
C 1.403185 2.014661 -0.407712
C -4.456029 0.245520 0.739358
C -3.198530 -0.664672 -1.192104
C -4.723549 -1.192064 1.230405
C -3.476116 -2.099595 -0.683120
C 2.671574 -0.134425 -0.089806
C 2.958612 -1.281732 -0.886010
C 3.587674 0.301194 0.900359
C 4.157876 -1.991394 -0.621709
C 2.044172 -1.728318 -2.013033
C 4.780439 -0.411518 1.134039
C 5.062290 -1.572155 0.377687
H -1.083638 0.968289 -1.562974
H 0.006904 -0.153548 1.088159
H -0.021470 -0.934680 -0.524493
H -0.272129 2.879954 0.663289
H -0.292919 3.194817 -1.093231
H -5.298325 0.574003 0.100034
H -4.336689 0.944232 1.582118
H -2.234486 -0.637527 -1.721730
H -4.000539 -0.382700 -1.902837
H -3.936444 -1.462065 1.976357
H -5.704604 -1.227065 1.736982
H -3.559024 -2.781973 -1.548601
H -2.601340 -2.425610 -0.063989
H -5.082188 -3.047545 0.291407
H 3.361926 1.206601 1.471132
H 4.390804 -2.875630 -1.227797
H 2.617010 -2.268128 -2.786404
H 1.251269 -2.416750 -1.657708
H 1.550733 -0.863104 -2.490497
H 5.482522 -0.064395 1.899697
H 5.984871 -2.136291 0.553396


