%chk=000229914.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229914

0 1
O 2.643334 0.187654 0.039027
O 2.103866 -1.769944 1.041577
O -2.442960 0.589870 2.022194
O -4.954532 -0.377952 0.833939
N -2.759015 -0.526030 0.016623
N -4.631461 -0.268301 -1.436657
C 4.086073 -0.174887 0.014225
C 4.628380 0.743785 -1.065633
C 4.651973 0.082084 1.398073
C 1.766029 -0.693735 0.602533
C 0.400130 -0.104411 0.545806
C -0.623440 -0.705021 1.149716
C -2.009049 -0.133192 1.163395
C -4.190683 -0.356867 -0.101659
H 4.144126 -1.249948 -0.267278
H 5.708759 0.610498 -1.195263
H 4.144257 0.555588 -2.032650
H 4.449012 1.800572 -0.823150
H 5.742008 -0.032351 1.416097
H 4.235259 -0.621885 2.133874
H 4.419912 1.094986 1.751784
H 0.322526 0.840463 -0.001872
H -0.517074 -1.641853 1.715927
H -2.278687 -1.038837 -0.729153
H -5.614451 -0.061544 -1.576670
H -4.026693 0.051556 -2.175008


%chk=000229914-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229914

0 1
O 2.468166 0.048997 -0.002822
O 2.210152 -1.685741 1.555259
O -2.847160 -1.127137 2.350396
O -4.994885 -0.372973 0.515965
N -2.650989 -0.456065 0.085745
N -4.129839 0.494976 -1.465677
C 3.971764 -0.111334 0.044507
C 4.475015 0.415476 -1.300342
C 4.510128 0.654040 1.261499
C 1.717982 -0.799841 0.813590
C 0.270295 -0.498416 0.647007
C -0.675373 -1.194479 1.338241
C -2.154113 -0.932260 1.319733
C -4.013476 -0.124791 -0.220520
H 4.172718 -1.193043 0.158868
H 5.573102 0.306749 -1.356591
H 4.026624 -0.145943 -2.137709
H 4.225042 1.484265 -1.420067
H 5.611385 0.567153 1.298761
H 4.102768 0.240496 2.198990
H 4.248192 1.724779 1.194708
H 0.032446 0.331682 -0.028886
H -0.357859 -1.961446 2.055653
H -1.978423 -0.428993 -0.684660
H -5.073748 0.722453 -1.771466
H -3.342316 0.841694 -2.010386


