%chk=000253335.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253335

0 1
O 1.600094 -1.375409 -0.552287
O 5.845415 0.621424 -0.719789
O -4.170659 -0.592044 1.580881
O 0.465967 0.410935 2.718645
O 0.669865 -0.185282 -2.251883
C 2.023702 0.486636 0.940967
C 2.441478 -0.340059 -0.115749
C -2.774139 0.024689 -0.187722
C 2.967323 1.370191 1.488016
C 0.644849 0.452310 1.518521
C 3.717111 -0.284605 -0.666005
C 4.621505 0.640324 -0.105849
C 4.259924 1.465833 0.972124
C -1.674295 0.028185 0.777476
C -4.091392 -0.300641 0.240053
C -0.452301 0.523827 0.528781
C -2.591573 0.328348 -1.545361
C -5.175123 -0.317823 -0.647234
C -3.664348 0.310731 -2.440924
C -4.948473 -0.007276 -1.990526
C 0.735036 -1.214811 -1.632628
C 6.868370 1.527156 -0.232812
C -5.468518 -0.914409 2.138609
C -0.016952 -2.485089 -1.793836
H 2.673625 1.996015 2.336863
H 4.018330 -0.929203 -1.487769
H 4.963966 2.165894 1.408710
H -1.904391 -0.422865 1.756657
H -0.196240 1.017149 -0.413797
H -1.588198 0.579922 -1.910771
H -6.176644 -0.562538 -0.310076
H -3.496563 0.551336 -3.488669
H -5.784233 -0.014654 -2.691140
H 7.116469 1.295276 0.806918
H 6.546816 2.565106 -0.357898
H 7.708181 1.291687 -0.900484
H -5.863961 -1.825188 1.680916
H -6.150931 -0.066881 2.027768
H -5.217432 -1.080397 3.195563
H 0.357270 -3.287021 -1.134028
H 0.035069 -2.847236 -2.832569
H -1.083797 -2.333045 -1.549065


%chk=000253335-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253335

0 1
O 1.576659 -1.139621 -0.967390
O 6.023072 0.684242 -0.492614
O -4.317613 -0.289853 1.897320
O 0.333658 0.719725 2.518535
O 2.235825 -0.753083 -3.198027
C 1.973202 0.510017 0.776838
C 2.471486 -0.212206 -0.347459
C -3.039569 0.034324 -0.108799
C 2.912049 1.284890 1.506080
C 0.552548 0.503490 1.278269
C 3.815817 -0.140826 -0.744997
C 4.711521 0.674048 -0.011285
C 4.262730 1.388509 1.129941
C -1.854216 0.184867 0.739078
C -4.317856 -0.210661 0.500586
C -0.558047 0.327910 0.312036
C -2.997941 0.124407 -1.529002
C -5.484580 -0.362254 -0.287511
C -4.153386 -0.025398 -2.318852
C -5.398523 -0.270921 -1.693399
C 1.548816 -1.376871 -2.368894
C 7.010885 1.492632 0.230677
C -5.593031 -0.518499 2.581326
C 0.555641 -2.480897 -2.650028
H 2.538846 1.810030 2.391173
H 4.191430 -0.699252 -1.603634
H 4.943259 2.012667 1.715098
H -2.021184 0.171854 1.822929
H -0.298592 0.324439 -0.750173
H -2.039810 0.333405 -2.017364
H -6.454558 -0.550077 0.181460
H -4.089770 0.054486 -3.408762
H -6.304949 -0.388057 -2.297544
H 7.125715 1.145347 1.275330
H 6.735378 2.564525 0.220361
H 7.953316 1.345811 -0.316212
H -6.034371 -1.491700 2.292185
H -6.312275 0.296492 2.371831
H -5.342254 -0.527562 3.651752
H 0.903846 -3.422490 -2.189958
H 0.449316 -2.617272 -3.735703
H -0.422286 -2.244121 -2.196602


