%chk=000213515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213515

0 1
O -4.826794 0.919216 0.974284
O -4.056813 -1.086958 1.588435
N 2.337479 -0.009687 -0.026229
C 2.988885 -0.820979 1.048054
C 3.085404 1.251370 -0.320539
C 4.429234 -1.171770 0.640706
C 4.526759 0.920897 -0.741494
C 5.241655 0.090863 0.330989
C 0.924836 0.016985 -0.085292
C 0.248675 1.012618 -0.833343
C 0.154575 -1.015517 0.508504
C -1.887314 -0.060822 -0.399253
C -3.382698 -0.104819 -0.595901
C -1.133526 0.965501 -0.985212
C -1.224468 -1.049129 0.346629
C -3.810847 -1.291872 -1.461707
C -4.070487 -0.213187 0.755181
H 2.408945 -1.761250 1.199986
H 2.984155 -0.274536 2.017085
H 3.087179 1.927862 0.562642
H 2.574817 1.795680 -1.148867
H 4.410417 -1.830984 -0.250858
H 4.909238 -1.753838 1.448747
H 5.077729 1.858931 -0.937715
H 4.512374 0.360336 -1.698244
H 5.380981 0.691299 1.250002
H 6.256352 -0.183597 -0.012903
H 0.810049 1.815549 -1.307771
H 0.642737 -1.798532 1.086919
H -3.727747 0.846543 -1.087460
H -1.630145 1.741820 -1.568200
H -1.805695 -1.847334 0.818091
H -3.264266 -1.289900 -2.414002
H -3.596862 -2.251643 -0.971138
H -4.882132 -1.264439 -1.690266
H -5.294281 0.910222 1.849742


%chk=000213515-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213515

0 1
O -4.560926 1.356866 0.818410
O -4.371185 -0.841956 1.533601
N 2.348304 0.023791 0.020227
C 3.030583 -1.024622 0.807108
C 3.071397 1.319812 -0.002374
C 4.491939 -1.216501 0.343037
C 4.521383 1.160321 -0.503356
C 5.273986 0.114665 0.348516
C 0.937436 -0.000969 -0.104186
C 0.260206 0.883760 -0.999651
C 0.130611 -0.931683 0.622278
C -1.927425 -0.110885 -0.452978
C -3.444993 -0.187643 -0.679492
C -1.136698 0.828690 -1.159453
C -1.265380 -0.986354 0.441880
C -3.879229 -1.535522 -1.309534
C -4.159288 0.021915 0.652429
H 2.490434 -1.977146 0.673129
H 3.015931 -0.779789 1.897526
H 3.092280 1.752686 1.027486
H 2.528848 2.034599 -0.639095
H 4.485129 -1.631934 -0.683519
H 4.979352 -1.961559 1.000857
H 5.029362 2.142804 -0.457333
H 4.507342 0.837247 -1.562375
H 5.368759 0.487250 1.389760
H 6.300241 -0.037721 -0.034819
H 0.828268 1.599062 -1.602426
H 0.585755 -1.602059 1.356714
H -3.738381 0.645915 -1.340977
H -1.618899 1.522071 -1.859925
H -1.850379 -1.703798 1.030057
H -3.334900 -1.697621 -2.255721
H -3.654576 -2.372463 -0.627114
H -4.964466 -1.547727 -1.518868
H -4.972422 1.461397 1.719780


