%chk=000220104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220104

0 1
O 4.018165 2.302996 0.174140
O 4.015748 -2.308500 0.107855
N 3.735184 -0.005214 0.322551
C -1.266288 0.004296 -0.131424
C -0.073788 -0.010420 0.834629
C -2.600429 -0.005891 0.626941
C 1.257382 -0.000257 0.073322
C -3.793325 0.009104 -0.338487
C 2.441330 -0.015022 1.051593
C -5.127979 -0.001255 0.419085
C -6.320707 0.013418 -0.546215
C 5.654874 0.777694 -0.845894
C 5.654154 -0.756228 -0.867806
C 4.405027 1.191106 -0.080711
C 4.403799 -1.190152 -0.114911
C -7.656635 0.003364 0.210203
C -8.847439 0.017844 -0.745793
H -1.212572 -0.869324 -0.809717
H -1.211502 0.897138 -0.784123
H -0.130740 -0.904556 1.486060
H -0.129627 0.864592 1.511630
H -2.655014 0.867377 1.305363
H -2.656238 -0.898606 1.279461
H 1.316115 0.894262 -0.578154
H 1.315072 -0.875743 -0.603602
H -3.739548 -0.863948 -1.017170
H -3.738457 0.901757 -0.991082
H 2.410873 0.877162 1.719123
H 2.409881 -0.926061 1.693102
H -5.183201 -0.893762 1.071792
H -5.182286 0.871906 1.097521
H -6.268134 -0.859237 -1.225170
H -6.267026 0.905207 -1.199742
H 6.557078 1.192030 -0.355473
H 5.641528 1.214379 -1.863215
H 5.640607 -1.163680 -1.897177
H 6.555881 -1.185238 -0.389256
H -7.712616 -0.889644 0.863025
H -7.711526 0.877323 0.888409
H -8.843685 0.910467 -1.381582
H -9.795812 0.009826 -0.197163
H -8.844024 -0.855409 -1.407937


%chk=000220104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220104

0 1
O 4.074173 2.338580 0.196587
O 4.056360 -2.346915 0.090860
N 3.803052 -0.006521 0.292343
C -1.259980 0.004166 -0.137239
C -0.036835 -0.008052 0.806910
C -2.610422 -0.001382 0.613663
C 1.305789 0.000981 0.043450
C -3.832859 0.007037 -0.331512
C 2.513724 -0.017601 1.006988
C -5.185482 0.003557 0.415952
C -6.407620 0.009791 -0.529805
C 5.763805 0.784818 -0.811084
C 5.757103 -0.762053 -0.847399
C 4.481086 1.181051 -0.069367
C 4.471937 -1.181674 -0.122922
C -7.760909 0.006944 0.217632
C -8.975971 0.012412 -0.735268
H -1.211491 -0.877145 -0.810260
H -1.208479 0.899295 -0.791558
H -0.086309 -0.905738 1.457938
H -0.085405 0.872954 1.480355
H -2.660176 0.881241 1.285284
H -2.661176 -0.895036 1.270486
H 1.364947 0.904295 -0.594258
H 1.360668 -0.881556 -0.623064
H -3.783360 -0.876266 -1.002374
H -3.781016 0.899632 -0.989793
H 2.493736 0.872705 1.661065
H 2.490877 -0.930531 1.629035
H -5.237246 -0.888304 1.075372
H -5.236075 0.887718 1.085727
H -6.358901 -0.874637 -1.199417
H -6.357340 0.901288 -1.189869
H 6.630847 1.204290 -0.272875
H 5.752706 1.245336 -1.813705
H 5.740526 -1.174484 -1.870639
H 6.621247 -1.213857 -0.331151
H -7.810031 -0.883709 0.877134
H -7.808916 0.891011 0.886002
H -8.965706 0.908563 -1.384414
H -9.930438 0.009869 -0.177149
H -8.966341 -0.876971 -1.393661


