%chk=000231707.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231707

0 1
O 2.478879 1.994960 -0.821156
O -0.183901 -0.859937 1.881058
O 3.487483 -2.422685 -0.318768
N 2.948372 -0.197762 -0.598760
N 1.565015 -1.659570 0.704505
C 0.694768 0.648046 0.166197
C -0.276676 0.473175 -1.060275
C 0.317708 1.834514 1.082404
C 2.081197 0.922376 -0.430276
C 0.617157 -0.631071 1.009207
C -1.662415 0.026252 -0.636216
C -0.349320 1.732965 -1.924164
C 1.303827 2.040939 2.225875
C -2.004658 -1.330372 -0.762565
C -2.615100 0.932290 -0.150443
C 2.725868 -1.508175 -0.095309
C -3.278757 -1.771956 -0.398141
C -3.889232 0.486547 0.214223
C -4.223844 -0.864940 0.092373
H 0.169873 -0.340922 -1.696887
H -0.699545 1.654294 1.495303
H 0.256956 2.758620 0.469187
H -1.020053 1.577137 -2.779680
H 0.632369 2.020912 -2.325747
H -0.728675 2.601841 -1.372013
H 1.367724 1.164640 2.882941
H 2.313685 2.276625 1.867526
H 0.990487 2.883281 2.857573
H 3.841934 -0.040912 -1.093504
H 1.444852 -2.572131 1.174005
H -1.278804 -2.047544 -1.142156
H -2.370084 1.989057 -0.056968
H -3.535022 -2.826212 -0.493895
H -4.621952 1.196162 0.595835
H -5.214918 -1.211044 0.379810


%chk=000231707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231707

0 1
O 2.654473 1.997556 -0.689139
O -0.120463 -0.723598 2.051571
O 3.215478 -2.612240 -0.564482
N 2.840764 -0.305863 -0.695406
N 1.433780 -1.665210 0.622384
C 0.755621 0.713235 0.240491
C -0.247500 0.512883 -1.037713
C 0.382584 1.942910 1.105594
C 2.151761 0.886548 -0.381805
C 0.649765 -0.576058 1.073263
C -1.636756 0.015760 -0.628038
C -0.310985 1.780855 -1.921599
C 1.319733 2.174978 2.311658
C -1.947220 -1.363197 -0.753174
C -2.647823 0.890683 -0.151961
C 2.535877 -1.604710 -0.246580
C -3.222427 -1.859817 -0.405181
C -3.923059 0.398595 0.200585
C -4.216267 -0.978933 0.077788
H 0.218422 -0.292036 -1.641342
H -0.648404 1.795881 1.470207
H 0.401890 2.837081 0.459558
H -0.873858 1.545664 -2.842406
H 0.692621 2.137936 -2.206189
H -0.832308 2.613857 -1.421401
H 1.299037 1.319896 3.009759
H 2.360475 2.351931 1.986782
H 0.992598 3.068205 2.873538
H 3.708092 -0.214516 -1.234489
H 1.269306 -2.571901 1.071966
H -1.184516 -2.054425 -1.135121
H -2.450123 1.964633 -0.064907
H -3.439668 -2.928415 -0.512415
H -4.688784 1.090537 0.568917
H -5.206920 -1.359304 0.350386


