%chk=000203431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203431

0 1
O 0.501342 2.103496 0.430798
O -0.427635 2.807983 -1.496379
O -1.567112 -0.756570 2.351770
O -1.708054 -2.507544 0.803467
N 0.442818 -0.221482 0.164556
N 0.817982 0.852231 1.060010
C 1.627886 -1.121141 -0.158939
C -0.183745 0.383998 -0.996503
C 2.120711 -1.759561 1.140227
C 2.753116 -0.394445 -0.894093
C -0.792161 -0.256125 -1.991984
C -0.110310 1.875577 -0.819204
C -1.624769 -1.624575 1.566300
H 1.194149 -1.918905 -0.822528
H 2.886657 -2.516803 0.934916
H 2.572298 -1.017869 1.814516
H 1.309860 -2.250315 1.689616
H 2.425210 0.009582 -1.858111
H 3.599368 -1.062812 -1.088831
H 3.140830 0.450143 -0.304488
H -1.292653 0.269714 -2.799241
H -0.841566 -1.335850 -2.070777
H 0.150477 0.819674 1.865003


%chk=000203431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203431

0 1
O 0.682799 2.148649 0.291536
O -0.485960 2.689103 -1.662155
O -1.713225 -0.513593 2.248781
O -1.709395 -2.534198 0.934384
N 0.505767 -0.246726 0.169412
N 0.839126 0.815720 1.104067
C 1.700453 -1.115396 -0.179090
C -0.240914 0.329509 -0.912062
C 2.151165 -1.889772 1.070274
C 2.842679 -0.289673 -0.810734
C -0.921887 -0.316248 -1.893525
C -0.090386 1.827350 -0.859386
C -1.688988 -1.515614 1.576086
H 1.298549 -1.827079 -0.925295
H 2.997883 -2.552208 0.817796
H 2.481627 -1.189313 1.856484
H 1.331217 -2.513198 1.468674
H 2.513560 0.218074 -1.735093
H 3.687249 -0.952581 -1.069379
H 3.203507 0.471785 -0.098180
H -1.383523 0.274800 -2.690191
H -1.022786 -1.404843 -1.921724
H 0.016184 0.913853 1.739418


