%chk=000188452.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188452

0 1
O 1.748582 2.331813 0.280214
O 3.398028 -3.196111 0.301154
O 3.906372 2.022257 0.767391
C 0.667047 -0.721829 0.490592
C 1.178728 0.198522 -0.653266
C 2.725425 0.336567 -0.661970
C -0.889950 -0.658902 0.522283
C 0.686859 1.656462 -0.492111
C 1.190596 -2.153851 0.226901
C 3.425322 -0.890928 -0.067891
C -1.380430 0.774951 0.559671
C 2.620356 -2.167068 -0.348083
C -1.642551 -1.335635 -0.638793
C 1.148069 -0.261272 1.882282
C -0.634597 1.821469 0.177798
C 2.934206 1.602672 0.203962
C -2.829071 0.883176 0.937467
C -3.701938 0.148888 -0.128220
C -3.154896 -1.284233 -0.374537
C 3.258780 0.646098 -2.063477
C -3.708425 0.957616 -1.437796
C -5.133365 0.086262 0.384754
C -6.063000 -0.759982 -0.051840
H 0.817034 -0.216121 -1.619370
H -1.210483 -1.168250 1.469797
H 0.682491 2.195337 -1.469355
H 0.508841 -2.695125 -0.455134
H 1.177137 -2.728222 1.175422
H 3.561659 -0.782292 1.034313
H 4.455991 -1.003327 -0.458492
H 2.604164 -2.395709 -1.437025
H -1.314349 -2.387340 -0.748428
H -1.403793 -0.837035 -1.596908
H 0.962537 0.810186 2.044922
H 0.644456 -0.804403 2.687381
H 2.226469 -0.422398 2.024947
H -0.972350 2.851178 0.275850
H -2.999165 0.436308 1.937079
H -3.149890 1.938695 1.025086
H -3.690577 -1.738687 -1.229283
H -3.398336 -1.914928 0.502796
H 4.331644 0.886122 -2.035305
H 3.138943 -0.212164 -2.734526
H 2.752132 1.501376 -2.525548
H -4.142519 1.952985 -1.293343
H -2.692707 1.098019 -1.823788
H -4.296217 0.456669 -2.214070
H 2.988855 -4.070982 0.184604
H -5.375227 0.829980 1.146979
H -7.077127 -0.763210 0.322697
H -5.895461 -1.509403 -0.811280


%chk=000188452-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188452

0 1
O 1.826075 2.330840 0.455220
O 3.392637 -3.358681 -0.122515
O 4.060235 1.888762 0.915849
C 0.663229 -0.713692 0.557807
C 1.208801 0.221855 -0.568063
C 2.763220 0.347837 -0.587465
C -0.905027 -0.654014 0.515335
C 0.743064 1.683168 -0.401744
C 1.249246 -2.151535 0.329898
C 3.480082 -0.949125 -0.112202
C -1.410721 0.790118 0.530016
C 2.596534 -2.160035 -0.446127
C -1.657481 -1.373766 -0.646375
C 1.074572 -0.247530 1.992007
C -0.635543 1.850713 0.166844
C 3.008049 1.561216 0.342096
C -2.888417 0.917849 0.828085
C -3.738231 0.158582 -0.268812
C -3.189958 -1.289712 -0.421026
C 3.276351 0.740520 -2.006247
C -3.644541 0.926357 -1.620830
C -5.198197 0.187388 0.173951
C -6.036250 -0.863895 0.353563
H 0.843850 -0.162450 -1.539944
H -1.268217 -1.136858 1.450718
H 0.803949 2.222443 -1.368274
H 0.529339 -2.798311 -0.207537
H 1.439495 -2.624885 1.312511
H 3.698549 -0.934655 0.968752
H 4.450725 -1.059104 -0.625847
H 2.384467 -2.154062 -1.540040
H -1.374724 -2.442235 -0.692504
H -1.381488 -0.924225 -1.620211
H 0.694418 0.757865 2.230652
H 0.656993 -0.957521 2.730724
H 2.166613 -0.235115 2.139568
H -1.050035 2.866560 0.179785
H -3.121858 0.465086 1.812952
H -3.201067 1.978774 0.863288
H -3.717275 -1.793724 -1.254550
H -3.431243 -1.858348 0.500845
H 4.346500 1.008227 -1.961522
H 3.162814 -0.115213 -2.697264
H 2.726439 1.600428 -2.430560
H -4.074950 1.941199 -1.526065
H -2.597166 1.038681 -1.952046
H -4.208536 0.392376 -2.406724
H 2.858436 -4.165726 -0.336818
H -5.589932 1.204312 0.346123
H -7.075220 -0.710508 0.666665
H -5.724310 -1.902031 0.194563


