%chk=000186730.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186730

0 1
O 3.085023 1.359543 -1.300259
O 2.010968 1.668962 0.642005
O -4.238805 0.317507 -0.124966
N -0.345009 -0.705481 0.519259
N 3.127544 -1.426201 -0.609849
C 1.077882 -1.059851 0.706816
C 1.945598 -0.552180 -0.476544
C -1.203970 -1.590810 -0.158917
C -0.824641 0.546708 0.950015
C 2.303340 0.925271 -0.261704
C -2.500231 -1.268962 -0.378032
C -2.115425 0.900205 0.748319
C -3.073620 0.015888 0.064031
H 1.447624 -0.641082 1.672967
H 1.185889 -2.170686 0.785856
H 1.351774 -0.615754 -1.436513
H -0.765990 -2.541258 -0.482416
H -0.093293 1.201917 1.446505
H 3.770716 -1.321914 0.170106
H 3.638887 -1.220456 -1.467297
H -3.183500 -1.944930 -0.888935
H -2.506341 1.859416 1.084455
H 3.338781 2.321948 -1.223704


%chk=000186730-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186730

0 1
O 2.329730 1.330304 -1.729999
O 2.244786 1.562625 0.584471
O -4.227005 0.562053 -0.159044
N -0.305976 -0.716941 0.506218
N 3.362978 -1.330038 -0.234029
C 1.090298 -1.161465 0.697637
C 2.046341 -0.698208 -0.430257
C -1.160000 -1.443824 -0.326341
C -0.785140 0.446449 1.115198
C 2.181830 0.834611 -0.433763
C -2.457511 -1.047276 -0.563699
C -2.074756 0.889348 0.915014
C -3.024230 0.171136 0.045785
H 1.455065 -0.775192 1.666018
H 1.131225 -2.263402 0.725342
H 1.651110 -1.017945 -1.408593
H -0.732288 -2.351508 -0.764302
H -0.066426 0.977272 1.745687
H 3.864786 -1.021589 0.604882
H 3.956223 -1.360275 -1.067019
H -3.102216 -1.645567 -1.214159
H -2.418920 1.801108 1.411536
H 2.473298 2.316125 -1.705385


