%chk=000179437.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179437

0 1
O 4.599478 -0.958342 -0.507152
O 4.536121 1.114972 -1.350676
C -0.136261 -0.181964 0.213435
C -0.762821 1.118087 0.240619
C -1.101717 -1.231533 -0.011757
C -2.202849 0.871905 0.024804
C 1.230736 -0.401255 0.378211
C -2.408512 -0.552294 -0.127227
C 2.028898 0.777856 0.601129
C 0.026226 2.217829 0.437826
C -0.661022 -2.525227 -0.072911
C 1.434611 2.025013 0.617693
C 1.658937 -1.767791 0.298004
C -3.270998 1.744901 -0.043413
C -3.676060 -1.057120 -0.341940
C 3.507688 0.639924 0.836568
C 0.743314 -2.773420 0.084197
C -4.561038 1.215148 -0.263338
C -4.758860 -0.153608 -0.409022
C 4.234450 0.372231 -0.451274
H -0.377582 3.226957 0.461480
H -1.334786 -3.361555 -0.238776
H 2.043579 2.917854 0.768265
H 2.723399 -1.992565 0.393803
H -3.130843 2.817395 0.067944
H -3.845507 -2.124802 -0.458268
H 3.702529 -0.177054 1.572099
H 3.931621 1.561314 1.298270
H 1.080009 -3.809020 0.024952
H -5.409132 1.896332 -0.318804
H -5.761832 -0.543225 -0.578307
H 5.076525 -1.192943 -1.347533


%chk=000179437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179437

0 1
O 4.681255 -0.871435 -0.712607
O 4.624286 1.392327 -1.233246
C -0.155221 -0.211887 0.233864
C -0.766722 1.083968 0.232045
C -1.130750 -1.240625 0.022608
C -2.215935 0.865712 0.006577
C 1.230966 -0.449555 0.420479
C -2.438604 -0.555149 -0.121218
C 2.060457 0.717857 0.631875
C 0.053481 2.198854 0.426232
C -0.701097 -2.570904 -0.005739
C 1.459673 1.991397 0.625370
C 1.647406 -1.827189 0.378713
C -3.293080 1.765871 -0.089947
C -3.734762 -1.054805 -0.344006
C 3.565894 0.592201 0.861499
C 0.698426 -2.842698 0.173200
C -4.596600 1.253609 -0.314369
C -4.814926 -0.140508 -0.440113
C 4.330681 0.464164 -0.452247
H -0.344119 3.219421 0.434965
H -1.397275 -3.402364 -0.161970
H 2.098799 2.868993 0.777693
H 2.705037 -2.088224 0.485029
H -3.136085 2.846002 0.004914
H -3.915310 -2.130920 -0.442883
H 3.798854 -0.278195 1.495995
H 3.939181 1.501641 1.360821
H 1.036300 -3.884960 0.144245
H -5.445065 1.942449 -0.391951
H -5.829902 -0.514959 -0.613476
H 5.143061 -0.926088 -1.593454


