%chk=000179635.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179635

0 1
O 3.747434 0.598177 -0.062148
O -2.327608 0.104564 -1.173698
O -3.365664 1.721147 -0.020188
O -2.111360 -1.115994 1.515758
O -2.641495 -2.249698 -0.250316
N -1.838843 -1.697841 0.482089
C 0.187139 0.817113 0.033074
C 0.414763 -0.656016 0.001520
C 1.473293 1.447218 0.108486
C 1.823049 -0.886451 -0.133865
C 2.559780 0.421865 -0.033654
C -0.937459 1.628472 -0.036948
C -0.402129 -1.771996 0.112183
C 1.626782 2.812339 0.239092
C 2.362791 -2.147449 -0.277251
C -0.782557 3.034145 0.126167
C 0.131450 -3.074477 -0.066330
C 0.466676 3.614362 0.277495
C 1.489792 -3.257788 -0.270849
C -2.325840 1.200849 -0.341069
H 2.621727 3.260159 0.305188
H 3.442047 -2.284541 -0.388032
H -1.685150 3.658422 0.127538
H -0.546939 -3.934159 -0.038060
H 0.560475 4.693120 0.411398
H 1.893662 -4.261674 -0.413755
H -3.250217 -0.218171 -1.399125


%chk=000179635-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179635

0 1
O 3.784012 0.598851 -0.073927
O -2.361762 0.149508 -1.277360
O -3.396939 1.855557 -0.088009
O -2.155520 -0.853742 1.369786
O -2.612186 -2.689987 0.097912
N -1.812893 -1.777198 0.536377
C 0.178837 0.818662 0.032088
C 0.406705 -0.665978 -0.006213
C 1.464276 1.445730 0.114663
C 1.813227 -0.895027 -0.147939
C 2.537678 0.414862 -0.036666
C -0.963658 1.655863 -0.034220
C -0.399408 -1.820728 0.104322
C 1.635523 2.829406 0.258336
C 2.381639 -2.166931 -0.295127
C -0.791818 3.059918 0.157242
C 0.145091 -3.119710 -0.079431
C 0.479780 3.644083 0.322588
C 1.524752 -3.295625 -0.297208
C -2.352539 1.243489 -0.402095
H 2.644762 3.249191 0.318319
H 3.466958 -2.266192 -0.397339
H -1.692374 3.682554 0.147976
H -0.533070 -3.975874 -0.022514
H 0.567854 4.725296 0.465765
H 1.929087 -4.303251 -0.430953
H -3.302415 -0.087028 -1.501673


