%chk=000227879.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227879

0 1
O -0.448490 0.001310 0.280786
O -2.052238 0.010036 1.867611
C -2.652894 -0.003849 -0.535726
C -3.520942 1.268541 -0.530607
C -3.517359 -1.278565 -0.518264
C -1.763120 0.003389 0.694148
C -2.692871 2.530293 -0.749033
C -2.685690 -2.540122 -0.723829
C 0.578643 0.007544 1.327820
C 1.877494 0.002694 0.574992
C 2.485304 -1.213477 0.229895
C 2.485699 1.214321 0.214936
C 3.700591 -1.215006 -0.460271
C 3.700986 1.206948 -0.475195
C 4.310381 -0.006246 -0.811472
H -2.005458 -0.007417 -1.451938
H -4.291819 1.185422 -1.322563
H -4.076304 1.340303 0.428094
H -4.072953 -1.342333 0.440843
H -4.288082 -1.205466 -1.311382
H -1.950765 2.673574 0.046344
H -3.329733 3.422644 -0.762488
H -2.147212 2.501545 -1.699785
H -1.942769 -2.672898 0.072614
H -3.319931 -3.434427 -0.727618
H -2.140517 -2.519699 -1.675077
H 0.425713 -0.887436 1.957595
H 0.426002 0.910267 1.946511
H 2.008186 -2.156079 0.493603
H 2.008885 2.160258 0.467001
H 4.171762 -2.159713 -0.726504
H 4.172462 2.148150 -0.753050
H 5.257340 -0.009708 -1.348190


%chk=000227879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227879

0 1
O -0.426735 -0.002725 0.118500
O -2.051428 0.008696 1.789128
C -2.741946 -0.005380 -0.588815
C -3.619583 1.278028 -0.532879
C -3.621277 -1.286865 -0.517251
C -1.751400 0.001003 0.570737
C -2.820829 2.588840 -0.692038
C -2.824119 -2.600591 -0.659522
C 0.624574 0.003201 1.201769
C 1.973803 0.001698 0.529757
C 2.619354 -1.220434 0.213811
C 2.617622 1.222511 0.205298
C 3.882242 -1.223955 -0.418803
C 3.880516 1.223455 -0.427315
C 4.516014 -0.000903 -0.740373
H -2.159141 -0.011521 -1.529090
H -4.376184 1.202833 -1.338580
H -4.168812 1.284721 0.428565
H -4.170986 -1.280790 0.443921
H -4.377342 -1.220800 -1.324231
H -2.102633 2.725414 0.137452
H -3.496863 3.463132 -0.694356
H -2.248601 2.597279 -1.638326
H -2.105939 -2.727172 0.171561
H -3.501200 -3.474025 -0.650343
H -2.252107 -2.622045 -1.605733
H 0.461000 -0.889116 1.831704
H 0.459120 0.900629 1.823884
H 2.128824 -2.169527 0.462005
H 2.125731 2.172606 0.446893
H 4.372101 -2.174503 -0.657356
H 4.369022 2.173018 -0.672465
H 5.497506 -0.001914 -1.227707


