%chk=000183311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183311

0 1
O 0.491122 0.075602 0.963952
O -0.364394 -0.024627 -1.198241
O -2.137208 -0.039398 1.928876
O -4.659553 1.087820 -1.335547
C 0.110709 -0.813131 -0.100914
C -0.991897 -1.677792 0.527309
C 1.293219 -1.604196 -0.674411
C -2.284042 -0.890723 0.791995
C 2.845573 0.140823 0.294666
C 2.501443 -0.701850 -0.947053
C -2.696326 -0.068733 -0.452475
C 1.604101 0.958922 0.689942
C -1.521529 0.794357 -0.927655
C 4.036805 1.081836 0.041756
C -3.930962 0.788477 -0.137869
C 5.363190 0.331403 -0.041950
H -0.623902 -2.096120 1.488584
H -1.202244 -2.541025 -0.131703
H 0.977969 -2.101690 -1.613524
H 1.570038 -2.407945 0.035114
H -3.109856 -1.570491 1.108133
H 3.095018 -0.548683 1.138332
H 3.370681 -1.316288 -1.245726
H 2.279620 -0.038702 -1.807872
H -2.965646 -0.786135 -1.269778
H 1.720361 1.481169 1.655025
H 1.297527 1.664887 -0.100644
H -1.703744 1.260553 -1.911489
H -1.240925 1.560930 -0.183666
H 4.094865 1.833530 0.854652
H 3.874029 1.659315 -0.889623
H -3.673986 1.723978 0.388220
H -4.676778 0.232954 0.464817
H -1.258448 0.425591 1.909124
H 5.571830 -0.226895 0.878188
H 5.372153 -0.387083 -0.869847
H 6.198528 1.023277 -0.201379
H -4.129143 1.642484 -1.936923


%chk=000183311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183311

0 1
O 0.467185 0.046479 1.048898
O -0.334728 -0.114179 -1.230463
O -2.119650 0.033529 1.912267
O -4.390754 1.528176 -1.425518
C 0.090829 -0.880414 -0.058788
C -1.055472 -1.734052 0.521860
C 1.314349 -1.694934 -0.507733
C -2.324372 -0.891691 0.783351
C 2.863781 0.154704 0.337358
C 2.524652 -0.792446 -0.840919
C -2.733897 -0.127844 -0.508224
C 1.597418 0.946206 0.715973
C -1.546623 0.712344 -1.010178
C 4.020837 1.135094 0.015839
C -3.981038 0.741185 -0.244333
C 5.386211 0.444244 -0.196066
H -0.715905 -2.197808 1.465086
H -1.280353 -2.540185 -0.200694
H 1.027256 -2.298863 -1.387521
H 1.574276 -2.390937 0.312650
H -3.155607 -1.549854 1.097331
H 3.153824 -0.461269 1.215437
H 3.394291 -1.427859 -1.089551
H 2.290395 -0.184744 -1.736538
H -2.980084 -0.877238 -1.287574
H 1.747627 1.546773 1.629254
H 1.299475 1.612191 -0.119804
H -1.752200 1.148712 -2.000418
H -1.318844 1.522727 -0.285243
H 4.114446 1.866233 0.845528
H 3.758156 1.721067 -0.889211
H -3.803135 1.385564 0.639125
H -4.846261 0.090147 -0.029923
H -1.150819 0.289371 1.897519
H 5.669717 -0.152944 0.691042
H 5.370371 -0.233311 -1.068475
H 6.183437 1.189755 -0.369577
H -3.860596 2.362471 -1.461372


