%chk=000185131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185131

0 1
I -0.212976 3.032420 0.012826
I -0.185790 -3.052683 -0.027351
I 4.090202 0.033914 -3.060710
I 4.115556 -0.014941 3.011865
O 5.118138 0.013253 0.069395
O -5.330100 1.197349 0.019493
O -5.520894 -1.032485 0.005509
C -0.503033 -0.011344 -0.008072
C 0.974312 -0.004829 -0.014521
C -1.227305 1.190599 0.003033
C -1.216505 -1.220238 -0.012885
C 1.676634 -0.011645 1.205110
C 1.666251 0.008121 -1.234773
C -3.310627 -0.022986 0.003588
C -2.619734 1.199060 0.009104
C -2.608216 -1.240259 -0.007071
C 3.058366 0.014498 -1.238828
C 3.064919 -0.005184 1.200601
C 3.766221 0.007833 -0.021972
C -4.789330 -0.069974 0.009195
H 1.123071 -0.022043 2.150117
H 1.107349 0.013062 -2.176048
H -3.186307 2.140357 0.018206
H -3.166927 -2.186483 -0.010494
H 5.565626 0.022166 -0.839814
H -6.327200 1.180762 0.023996


%chk=000185131-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185131

0 1
I -0.249718 3.113705 0.019123
I -0.244169 -3.118388 -0.024234
I 4.171349 0.026194 -3.104761
I 4.191834 -0.026292 3.056563
O 5.232832 -0.000578 0.047916
O -5.434034 1.218654 0.013102
O -5.547942 -1.102775 -0.001560
C -0.504000 -0.002454 -0.002566
C 0.992858 -0.000806 -0.008490
C -1.256271 1.210187 0.007992
C -1.253477 -1.217560 -0.008548
C 1.715117 -0.011250 1.210604
C 1.698996 0.009947 -1.234938
C -3.366838 -0.004413 0.005047
C -2.664764 1.223968 0.011806
C -2.660619 -1.230874 -0.004833
C 3.104998 0.010154 -1.228236
C 3.121548 -0.010794 1.205628
C 3.849194 -0.000184 -0.015598
C -4.856893 -0.057759 0.007412
H 1.175530 -0.019764 2.161457
H 1.151053 0.017620 -2.180551
H -3.224179 2.161155 0.019875
H -3.227580 -2.165446 -0.009546
H 5.631550 0.006742 -0.865228
H -6.424676 1.129311 0.012064


