%chk=000179534.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179534

0 1
O -0.478365 -2.171592 -0.252232
O -4.622645 0.392132 -0.094787
O 3.941449 -2.014825 -0.201987
O 5.241100 0.361300 -0.006796
C -0.418571 0.183791 -0.072274
C 1.034965 0.225466 -0.056077
C -1.148080 1.404291 0.014428
C 1.690726 1.482219 0.046526
C -1.205496 -1.012776 -0.170547
C -0.437782 2.662300 0.117261
C 0.916725 2.697481 0.132559
C 1.841428 -0.943476 -0.138897
C -2.558479 1.427339 0.003399
C 3.110957 1.572220 0.066595
C -2.597575 -1.011552 -0.183020
C -3.259256 0.229218 -0.094445
C 3.219126 -0.853448 -0.119168
C 3.860620 0.421957 -0.014938
C -1.175687 -3.439426 -0.354565
C -5.457862 -0.787108 -0.190478
H -1.030513 3.574318 0.181569
H 1.454764 3.643163 0.210049
H 1.398403 -1.941551 -0.220189
H -3.099687 2.366975 0.070247
H 3.583257 2.547958 0.146000
H -3.161806 -1.929974 -0.258201
H -1.783791 -3.610328 0.538043
H -0.335994 -4.146483 -0.401042
H -1.768114 -3.472893 -1.273063
H 4.921955 -1.824294 -0.178442
H 5.640940 1.260738 0.066660
H -5.279159 -1.302531 -1.138239
H -6.464771 -0.349374 -0.164633
H -5.292681 -1.440236 0.670887


%chk=000179534-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179534

0 1
O -0.527838 -2.245195 -0.262426
O -4.692733 0.396944 -0.095457
O 4.086378 -1.990966 -0.196347
O 5.342605 0.384600 0.001143
C -0.400203 0.178720 -0.075655
C 1.069644 0.220835 -0.057969
C -1.139874 1.422809 0.012160
C 1.726752 1.509622 0.047894
C -1.204805 -1.016739 -0.173793
C -0.428907 2.677971 0.115200
C 0.947875 2.719834 0.132722
C 1.906890 -0.938200 -0.138659
C -2.561710 1.453554 0.001545
C 3.153082 1.594002 0.070008
C -2.614153 -0.978403 -0.182312
C -3.293170 0.266784 -0.094082
C 3.299210 -0.835126 -0.115715
C 3.928980 0.441063 -0.010312
C -1.304846 -3.480868 -0.362800
C -5.494998 -0.823128 -0.187378
H -1.019047 3.598910 0.180047
H 1.474960 3.678185 0.212249
H 1.464383 -1.928107 -0.220311
H -3.093375 2.407065 0.069893
H 3.623411 2.582612 0.152142
H -3.182433 -1.907151 -0.256571
H -1.940855 -3.630574 0.531129
H -0.553247 -4.282053 -0.420479
H -1.930320 -3.490252 -1.276472
H 5.043366 -1.725537 -0.166195
H 5.746663 1.281611 0.075117
H -5.301606 -1.366294 -1.133454
H -6.539827 -0.479706 -0.167938
H -5.310151 -1.495821 0.673280


