%chk=000180745.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180745

0 1
O 1.758520 3.265322 -0.535565
O -1.667633 0.755202 -1.834594
O -4.276641 0.565282 -1.682394
O 3.524056 2.129416 1.532366
N 2.586497 -2.232349 -1.809248
C 0.169994 -0.012047 0.268642
C 0.699400 -1.134196 -0.679769
C -1.347367 -0.201083 0.337441
C 0.812539 -0.199473 1.646888
C 0.536693 1.335331 -0.302964
C 2.214648 -1.076163 -0.926720
C -1.941625 -0.892481 1.428556
C 0.220967 -1.204693 2.536273
C -2.202480 0.214742 -0.690708
C 1.874472 0.521414 2.055580
C -1.086696 -1.495462 2.456148
C 1.572898 2.075371 0.134856
C 2.448912 1.628582 1.271424
C -3.328557 -1.047808 1.522758
C -3.616012 0.056697 -0.580245
C -4.183846 -0.558119 0.527148
C 2.783267 -3.476576 -1.006642
C 3.822548 -1.921133 -2.587881
C 2.867601 4.109777 -0.132688
C -5.724306 0.527328 -1.667501
H 0.172882 -1.049223 -1.656528
H 0.412261 -2.121677 -0.270139
H -0.057222 1.689730 -1.153460
H 2.772956 -1.063910 0.032968
H 2.462785 -0.123438 -1.446384
H 0.875047 -1.655820 3.282356
H 2.365602 0.345635 3.014269
H -1.561958 -2.197876 3.143073
H -3.760304 -1.561386 2.381732
H -5.258750 -0.676250 0.626352
H 3.616324 -3.439121 -0.289765
H 2.956113 -4.318981 -1.695246
H 1.858239 -3.697327 -0.450574
H 3.624487 -1.053546 -3.238488
H 4.053116 -2.771452 -3.249255
H 4.713120 -1.704859 -1.980391
H -2.386208 1.058214 -2.461201
H 3.818028 3.584904 -0.276920
H 2.752793 4.419314 0.909880
H 2.758675 4.954585 -0.821864
H -6.073603 -0.509116 -1.641244
H -5.968766 1.002772 -2.626827
H -6.110065 1.112845 -0.827703


%chk=000180745-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180745

0 1
O 2.197787 3.161501 -0.829586
O -1.727466 0.998778 -1.763792
O -4.274983 0.540980 -1.651689
O 3.750725 2.273041 1.490727
N 2.593767 -2.168360 -1.860981
C 0.249477 0.122029 0.344705
C 0.726538 -1.123998 -0.573291
C -1.286457 -0.077714 0.410197
C 0.917338 -0.044745 1.711410
C 0.694966 1.396722 -0.343203
C 2.250930 -1.320720 -0.693015
C -1.843505 -0.864335 1.479324
C 0.335959 -0.983347 2.657026
C -2.168007 0.323656 -0.616536
C 2.064710 0.652772 2.030101
C -0.978535 -1.365627 2.543995
C 1.804157 2.114207 0.017909
C 2.631975 1.719453 1.199641
C -3.229127 -1.164836 1.520554
C -3.566124 0.029915 -0.545579
C -4.108203 -0.709317 0.517989
C 2.168982 -3.573795 -1.703362
C 4.023616 -2.062660 -2.219162
C 2.675805 4.418913 -0.210160
C -5.723246 0.328421 -1.699294
H 0.315889 -0.951860 -1.584821
H 0.244484 -2.025217 -0.150348
H 0.147316 1.700618 -1.237816
H 2.659518 -1.745728 0.258875
H 2.733350 -0.338223 -0.844047
H 0.938019 -1.297895 3.517426
H 2.600578 0.444930 2.964989
H -1.430390 -2.023148 3.296578
H -3.617770 -1.761798 2.352769
H -5.176053 -0.939531 0.567364
H 2.650792 -4.081819 -0.827560
H 2.430193 -4.141837 -2.614202
H 1.074848 -3.633427 -1.573690
H 4.281501 -1.005459 -2.405625
H 4.216631 -2.631521 -3.146776
H 4.711852 -2.452141 -1.426035
H -2.522715 1.176276 -2.337148
H 3.574087 4.235443 0.399570
H 1.877285 4.869365 0.411054
H 2.900511 5.078711 -1.062241
H -5.960708 -0.751420 -1.736828
H -6.060397 0.817857 -2.624256
H -6.216498 0.793789 -0.825358


