%chk=000230593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230593

0 1
O 1.110600 3.411490 -0.757938
O 3.144404 2.503843 -0.664055
N -2.247261 -0.224662 -1.204780
N -0.376610 -1.283798 -0.169718
C -4.550927 -0.165018 0.647457
C -3.740533 1.099979 0.332254
C -3.699789 -1.428478 0.465827
C -3.088649 1.002928 -1.057202
C -3.041665 -1.461746 -0.922742
C -0.929943 -0.164590 -0.680634
C -0.162090 1.055805 -0.832349
C 1.161280 1.066886 -0.474055
C 0.965321 -1.274141 0.174192
C 1.788707 -0.114822 0.042559
C 3.161423 -0.203103 0.426164
C 1.525194 -2.489481 0.693154
C 1.949710 2.321373 -0.632679
C 3.673952 -1.377003 0.918661
C 2.846454 -2.530774 1.054865
H -4.935608 -0.116231 1.683723
H -5.442232 -0.213894 -0.007314
H -4.390673 1.992945 0.380021
H -2.960093 1.247666 1.104547
H -2.911867 -1.473213 1.245638
H -4.318258 -2.333201 0.608803
H -3.869817 0.952392 -1.849905
H -2.483205 1.910430 -1.272349
H -2.384490 -2.356015 -1.021060
H -3.810212 -1.536338 -1.723139
H -0.647745 1.950306 -1.234423
H 3.799980 0.679687 0.311297
H 0.872136 -3.358171 0.783717
H 4.720802 -1.446809 1.210367
H 3.287169 -3.446212 1.450170
H 1.617237 4.262169 -0.869376


%chk=000230593-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230593

0 1
O 1.175518 3.431820 -0.954599
O 3.258049 2.592632 -0.419154
N -2.216750 -0.181259 -0.637779
N -0.228903 -1.295064 -0.055221
C -4.973710 -0.145079 0.353528
C -4.153129 1.155716 0.183953
C -4.037012 -1.352210 0.600467
C -3.073949 0.987193 -0.915795
C -2.964247 -1.453049 -0.508652
C -0.841849 -0.138019 -0.420133
C -0.083673 1.080402 -0.588185
C 1.297322 1.091403 -0.370715
C 1.134795 -1.303172 0.160901
C 1.979113 -0.127192 0.025062
C 3.382116 -0.250426 0.281060
C 1.730006 -2.548842 0.545595
C 2.029393 2.378599 -0.564270
C 3.931678 -1.482111 0.656029
C 3.102174 -2.637851 0.789258
H -5.697413 -0.037590 1.183202
H -5.565809 -0.325297 -0.568225
H -4.814747 2.001826 -0.085018
H -3.655737 1.412457 1.139579
H -3.531901 -1.243085 1.579711
H -4.618341 -2.293738 0.631314
H -3.576392 0.833595 -1.895536
H -2.472730 1.904253 -0.999217
H -2.234300 -2.247725 -0.295794
H -3.457000 -1.670871 -1.481105
H -0.558315 2.011518 -0.896061
H 4.017447 0.631756 0.179146
H 1.067437 -3.414612 0.639166
H 5.007244 -1.559811 0.848802
H 3.545847 -3.595746 1.083705
H 1.730470 4.249776 -1.065321


