%chk=000219717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219717

0 1
O 0.671717 1.113606 -1.379283
O -0.671643 1.113134 1.379889
O -1.656319 1.329613 -1.441098
O 1.656387 1.329207 1.441744
O 3.799971 -0.341382 -0.925675
O -3.800039 -0.341807 0.925515
O 4.480251 -1.230754 1.044003
O -4.480674 -1.229761 -1.044678
C 0.654152 0.040050 -0.414718
C -0.654048 0.039899 0.414968
C -1.886721 0.265399 -0.490312
C 1.886813 0.265282 0.490640
C 3.124634 0.762414 -0.268086
C -3.124542 0.762276 0.268574
C -0.478380 1.154108 -2.223741
C 0.478464 1.153413 2.224346
C 4.500763 -1.254991 -0.162603
C -4.500985 -1.254841 0.161914
C 5.199593 -2.196745 -1.078455
C -5.199701 -2.197227 1.077212
H 0.760307 -0.915621 -0.978765
H -0.760179 -0.915960 0.978702
H -2.114158 -0.667496 -1.061543
H 2.114264 -0.667783 1.061592
H 2.865641 1.414907 -1.128538
H 3.823891 1.275314 0.418238
H -2.865568 1.414289 1.129395
H -3.823690 1.275615 -0.417539
H -0.374090 2.103283 -2.779479
H -0.546370 0.244472 -2.839767
H 0.374144 2.102410 2.780381
H 0.546492 0.243586 2.840085
H 4.958380 -3.241682 -0.829045
H 4.939813 -2.028309 -2.136447
H 6.292721 -2.086652 -0.985598
H -4.953461 -3.241773 0.831094
H -4.944459 -2.025558 2.135795
H -6.292874 -2.091635 0.979881


%chk=000219717-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219717

0 1
O 0.796595 1.470651 -1.293835
O -0.796700 1.470296 1.294082
O -1.606069 1.585159 -1.586160
O 1.605947 1.585014 1.586434
O 3.596028 -0.412689 -0.849386
O -3.595897 -0.413272 0.849275
O 4.300012 -1.630652 1.014721
O -4.299888 -1.630898 -1.015045
C 0.689157 0.339113 -0.360569
C -0.689135 0.338961 0.360584
C -1.831759 0.449707 -0.669066
C 1.831767 0.449779 0.669104
C 3.205384 0.715210 0.041216
C -3.205403 0.714848 -0.041113
C -0.311401 1.455964 -2.237542
C 0.311295 1.455539 2.237788
C 4.173032 -1.530890 -0.226243
C -4.172784 -1.531421 0.225929
C 4.628480 -2.535169 -1.261083
C -4.628343 -2.535836 1.260592
H 0.794205 -0.615872 -0.926412
H -0.794071 -0.616152 0.926232
H -1.859161 -0.494246 -1.257614
H 1.859278 -0.494295 1.257454
H 3.163673 1.592265 -0.618140
H 3.954801 0.838612 0.840549
H -3.163782 1.591782 0.618410
H -3.954846 0.838320 -0.840409
H -0.191201 2.341020 -2.875622
H -0.285921 0.504745 -2.821855
H 0.190993 2.340448 2.876052
H 0.285919 0.504196 2.821905
H 4.677188 -3.538471 -0.811976
H 3.960803 -2.532110 -2.136695
H 5.641298 -2.262330 -1.610241
H -4.676859 -3.539112 0.811406
H -3.960863 -2.532792 2.136350
H -5.641276 -2.263122 1.609522


