%chk=000299104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299104

0 1
O 3.967748 -1.929754 -1.110542
O -4.006325 -2.996004 0.440590
O -2.997737 3.077390 -0.654765
O -0.878585 3.324411 -0.341594
O -5.335616 -1.272529 -0.073364
N 0.652727 1.278031 0.153636
N -1.897127 2.629140 -0.388522
C -0.521122 0.562404 0.162219
C 1.979414 0.726034 0.280936
C -1.774895 1.209327 -0.106622
C -0.541486 -0.837903 0.465604
C -2.969128 0.452102 -0.107611
C -2.950401 -0.908222 0.165792
C -1.715057 -1.549593 0.464668
C 2.375733 -0.380955 -0.471163
C 2.876501 1.387878 1.142471
C 3.704209 -0.832657 -0.330720
C 4.185167 0.915691 1.249782
C 4.617210 -0.197923 0.523417
C -4.210761 -1.659151 0.149791
C 5.308985 -2.480395 -1.083130
H 0.606848 2.319051 0.040302
H 0.394567 -1.339902 0.721725
H -3.923432 0.961635 -0.329559
H -1.724673 -2.621854 0.697816
H 1.709760 -0.884333 -1.170648
H 2.556240 2.251238 1.721694
H 4.885147 1.423767 1.916808
H 5.638138 -0.549507 0.625500
H 5.550552 -2.842339 -0.079840
H 6.031208 -1.740333 -1.439582
H 5.219357 -3.315084 -1.792099
H -4.857165 -3.512262 0.431111


%chk=000299104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299104

0 1
O 4.049346 -2.042634 -1.019188
O -4.219663 -3.016206 0.324850
O -3.007816 3.138006 -0.582040
O -0.790794 3.333015 -0.108897
O -5.466376 -1.107776 -0.138470
N 0.647170 1.187517 0.250955
N -1.880818 2.606779 -0.256310
C -0.539944 0.488116 0.213161
C 1.982536 0.693482 0.316907
C -1.800100 1.164424 -0.036971
C -0.610752 -0.926544 0.453068
C -3.019178 0.452426 -0.080669
C -3.046288 -0.934327 0.138513
C -1.821701 -1.614539 0.421562
C 2.399631 -0.470173 -0.368189
C 2.930505 1.472198 1.038368
C 3.755285 -0.873956 -0.304830
C 4.275750 1.062414 1.078381
C 4.706283 -0.113633 0.421052
C -4.350457 -1.634897 0.087864
C 5.442477 -2.500339 -1.033587
H 0.507582 2.216763 0.207766
H 0.307989 -1.461513 0.701267
H -3.946708 0.995546 -0.283156
H -1.849999 -2.688367 0.625212
H 1.716517 -1.050548 -0.993345
H 2.604528 2.374950 1.565131
H 5.003779 1.660397 1.636929
H 5.756201 -0.413764 0.473354
H 5.795015 -2.746993 -0.013404
H 6.109699 -1.741659 -1.486330
H 5.437736 -3.408271 -1.653760
H -5.121431 -3.432498 0.278906


