%chk=000217939.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217939

0 1
O 0.092511 0.984039 -0.497506
O -2.647025 0.210883 -1.138335
O -3.711387 -2.007105 0.499829
O 2.004140 -0.487964 2.682614
O 5.060039 0.521887 -1.507053
O 3.569653 2.190161 -1.536067
C 0.100740 -0.506405 1.282084
C -0.611578 0.044904 0.190335
C -1.936937 -0.368620 -0.090109
C -2.504909 -1.408810 0.676564
C -0.535727 -1.487053 2.077181
C -1.801885 -1.951938 1.780938
C 1.481721 -0.131705 1.646124
C 2.227109 0.726735 0.665013
C -0.339738 1.411410 -1.820361
C -3.417077 1.374117 -0.711541
C -4.490843 -1.719513 -0.693737
C 3.227880 0.257345 -0.082196
C 3.896825 1.119358 -1.073721
H 0.015069 -1.888396 2.938740
H -2.277906 -2.732527 2.372725
H 1.873387 1.766309 0.601116
H -1.078776 2.207825 -1.704900
H -0.744672 0.573470 -2.396478
H 0.602933 1.788252 -2.243019
H -2.749894 2.146045 -0.317954
H -4.156665 1.083004 0.039169
H -3.893271 1.691220 -1.644939
H -3.850574 -1.654665 -1.580996
H -5.043123 -0.789376 -0.536978
H -5.160380 -2.587435 -0.736307
H 3.609516 -0.766820 -0.014215
H 5.546246 1.075367 -2.175423


%chk=000217939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217939

0 1
O -0.299859 0.814613 -1.019907
O -3.054537 0.354201 -0.928822
O -4.061289 -1.747643 0.918588
O 2.285015 -1.529358 1.490212
O 5.684848 1.679316 -0.265397
O 3.751086 2.737673 -1.014368
C 0.101906 -0.852580 0.752858
C -0.786776 -0.161502 -0.124441
C -2.193890 -0.391988 -0.085010
C -2.726028 -1.389243 0.782272
C -0.472142 -1.819358 1.633620
C -1.839920 -2.093483 1.645268
C 1.588336 -0.682381 0.835830
C 2.260027 0.495140 0.197130
C -0.439863 0.492861 -2.463060
C -3.177181 1.785575 -0.551099
C -5.075986 -1.409351 -0.100861
C 3.619387 0.606814 0.199386
C 4.290524 1.771898 -0.419060
H 0.214161 -2.357305 2.294610
H -2.269954 -2.844770 2.313374
H 1.638190 1.263197 -0.271201
H -1.502836 0.352944 -2.724037
H 0.141974 -0.416287 -2.701953
H -0.017684 1.360437 -2.991491
H -2.192592 2.282140 -0.600526
H -3.599393 1.877312 0.467543
H -3.866229 2.224389 -1.288835
H -4.713670 -1.644653 -1.114974
H -5.351857 -0.343694 -0.051198
H -5.937314 -2.042455 0.162831
H 4.247594 -0.162629 0.660036
H 6.111355 2.474171 -0.686723


