%chk=000240478.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240478

0 1
O -0.502682 0.785325 -1.292080
O -3.122216 -0.507363 -1.522200
O -4.361806 -1.282829 1.009212
O 0.695146 2.483175 1.643146
O 5.427556 -0.954779 -0.699006
C -0.666059 0.661992 1.016493
C -1.262566 0.382437 -0.233946
C -2.521935 -0.260260 -0.289286
C 0.641501 1.386338 1.123276
C 1.860207 0.699835 0.623577
C -1.341018 0.320391 2.194918
C -3.135566 -0.666041 0.915444
C -2.552783 -0.362770 2.158297
C 1.866042 -0.653552 0.262870
C 3.052260 1.452179 0.528859
C 3.035980 -1.270674 -0.186673
C 4.226002 0.866867 0.080411
C 4.204034 -0.500577 -0.274647
C -0.940343 0.485200 -2.644181
C -4.215777 0.419233 -1.799093
C -4.631028 -2.372726 0.085157
C 5.544657 -2.346843 -1.084085
H -0.895418 0.584079 3.158674
H -3.065205 -0.660021 3.071046
H 0.947277 -1.240804 0.334128
H 3.033514 2.508704 0.818822
H 3.024978 -2.319793 -0.457700
H 5.153766 1.428110 -0.001931
H -1.776097 1.138872 -2.906495
H -1.220195 -0.569567 -2.738760
H -0.038654 0.725242 -3.221193
H -3.838372 1.444508 -1.832710
H -4.995262 0.315801 -1.037142
H -4.562786 0.082877 -2.780519
H -4.376323 -2.108265 -0.947311
H -5.709341 -2.518722 0.213313
H -4.066188 -3.248346 0.418324
H 4.898971 -2.559213 -1.940745
H 5.323103 -2.996118 -0.232263
H 6.604624 -2.412602 -1.363701


%chk=000240478-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240478

0 1
O -0.545793 0.815356 -1.236252
O -3.164019 -0.351956 -1.553500
O -4.642332 -1.051553 0.828043
O 0.722287 2.208043 2.180231
O 5.429523 -0.808849 -0.947669
C -0.744371 0.606356 1.157386
C -1.279543 0.343025 -0.136688
C -2.590288 -0.198575 -0.264583
C 0.610851 1.233079 1.369900
C 1.818793 0.662635 0.701752
C -1.549373 0.362549 2.298985
C -3.334743 -0.532096 0.902583
C -2.820541 -0.227764 2.183448
C 1.868493 -0.673959 0.234319
C 2.994668 1.461585 0.610861
C 3.050374 -1.212710 -0.316152
C 4.171214 0.948992 0.050105
C 4.204344 -0.393356 -0.415423
C -0.357044 -0.069636 -2.407046
C -4.217469 0.655813 -1.842096
C -4.802887 -2.313979 0.067996
C 5.532406 -2.187921 -1.434028
H -1.145443 0.626164 3.281282
H -3.432018 -0.459149 3.060025
H 0.982576 -1.311965 0.330701
H 2.955972 2.486512 0.993311
H 3.066436 -2.254836 -0.648927
H 5.078223 1.554486 -0.037247
H -1.326412 -0.413315 -2.801535
H 0.276655 -0.931855 -2.125919
H 0.172957 0.552408 -3.143993
H -3.788555 1.673614 -1.803759
H -5.045463 0.563602 -1.116284
H -4.571319 0.430343 -2.859776
H -4.451744 -2.198479 -0.971752
H -5.881696 -2.529671 0.094800
H -4.244232 -3.127147 0.568569
H 4.823227 -2.375283 -2.263338
H 5.353402 -2.915016 -0.618698
H 6.564885 -2.286194 -1.799329


