%chk=000180879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180879

0 1
O -1.241766 -2.450238 1.192956
O -3.319005 1.337419 -0.126305
O -3.211587 -0.552710 -1.172164
N -2.817341 0.252405 -0.346700
C -1.621929 -0.139716 0.501138
C -1.020378 -1.556112 0.107430
C -0.479082 0.838551 0.359788
C 0.707691 0.086315 0.088639
C 0.470067 -1.319554 -0.028274
C 1.973527 0.670178 -0.041840
C -0.402235 2.198875 0.476942
C 1.525160 -2.158920 -0.251350
C 2.029425 2.096369 0.085938
C 3.061752 -0.230252 -0.284585
C 0.882304 2.818643 0.329190
C 2.834572 -1.585128 -0.376824
H -1.956865 -0.182347 1.574895
H -1.477195 -1.949112 -0.828765
H -1.281788 2.813846 0.669590
H 1.402660 -3.237069 -0.329172
H 2.992645 2.594409 -0.013538
H 4.065880 0.177064 -0.390211
H 0.930040 3.904866 0.420521
H 3.667748 -2.266794 -0.553362
H -2.083702 -2.940890 1.070962


%chk=000180879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180879

0 1
O -1.381371 -2.667196 0.833109
O -3.243798 1.354666 -0.399880
O -3.712529 -0.872946 -0.274664
N -2.933431 0.147063 -0.110475
C -1.574540 -0.153976 0.524791
C -1.008232 -1.536274 0.001449
C -0.459896 0.858324 0.311179
C 0.728860 0.104115 0.076830
C 0.494080 -1.296913 -0.022621
C 2.023550 0.693489 -0.029899
C -0.384777 2.246743 0.406765
C 1.571031 -2.161797 -0.195398
C 2.080144 2.125018 0.065195
C 3.121945 -0.213302 -0.212897
C 0.905583 2.866969 0.264534
C 2.891871 -1.596602 -0.278210
H -1.807622 -0.273816 1.602428
H -1.382872 -1.682156 -1.035550
H -1.274178 2.859151 0.576118
H 1.426911 -3.244263 -0.263968
H 3.045257 2.638391 -0.017226
H 4.142570 0.177954 -0.295952
H 0.967543 3.959079 0.327360
H 3.743490 -2.273915 -0.407606
H -2.348989 -2.837709 0.689485


