%chk=000187301.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187301

0 1
O -4.378757 1.390347 -0.845109
O -5.066693 0.293823 1.148715
O -3.492299 -1.655101 0.940994
C -4.020174 0.536416 0.277553
C -3.531172 1.952830 0.229905
C -3.143165 -0.672583 -0.050756
C -2.093373 2.183976 -0.147672
C -1.666250 -0.363120 -0.072904
C -1.192415 0.977958 -0.050286
C -0.749981 -1.418381 -0.153459
C 0.171337 1.226475 -0.002015
C 0.654102 -1.159593 -0.093139
C 1.116498 0.174205 0.000034
C -1.232098 -2.820480 -0.343616
C 2.549252 0.443091 0.077533
C 1.626487 -2.232241 -0.123245
C 3.461239 -0.637429 0.047654
C 2.958803 -1.989786 -0.056767
C 3.061775 1.763995 0.183967
C 4.857483 -0.385427 0.121848
C 4.421847 1.993114 0.255811
C 5.328964 0.908294 0.224124
H -4.035261 2.736968 0.801509
H -3.476192 -1.149788 -1.007617
H -1.681857 3.017339 0.463265
H -2.063075 2.549835 -1.205725
H -5.375469 -0.654948 1.082094
H 0.536844 2.254649 0.026293
H -3.097585 -1.415662 1.813855
H -0.447913 -3.577797 -0.197778
H -2.052985 -3.080882 0.347730
H -1.625101 -2.957883 -1.362908
H 1.247629 -3.256135 -0.198585
H 3.683523 -2.802718 -0.078867
H 2.363825 2.602886 0.208602
H 5.549382 -1.225980 0.097037
H 4.808126 3.007738 0.337194
H 6.398503 1.106096 0.281230


%chk=000187301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187301

0 1
O -3.940395 1.299533 -1.335864
O -5.442521 0.260070 0.317795
O -3.622746 -1.478190 1.228872
C -4.106550 0.540940 -0.059689
C -3.592535 1.932794 0.023102
C -3.180085 -0.673086 0.039666
C -2.131656 2.202307 0.284963
C -1.688918 -0.362176 0.059710
C -1.210672 0.988786 0.160178
C -0.763296 -1.432039 -0.059690
C 0.168815 1.233946 0.148907
C 0.651961 -1.161988 -0.060292
C 1.131387 0.193655 0.049504
C -1.230361 -2.874670 -0.198536
C 2.574084 0.462062 0.044339
C 1.617784 -2.235298 -0.181353
C 3.493233 -0.642146 -0.075511
C 2.976242 -1.986045 -0.188903
C 3.121581 1.777865 0.154053
C 4.901658 -0.399922 -0.082130
C 4.506332 1.996419 0.145456
C 5.408007 0.900128 0.026496
H -4.310315 2.710685 0.311286
H -3.429009 -1.334455 -0.809086
H -2.044831 2.623111 1.309143
H -1.779265 2.998293 -0.399894
H -5.426346 -0.613323 0.801547
H 0.500066 2.275551 0.214061
H -3.132096 -1.156676 2.028482
H -0.786405 -3.513194 0.587871
H -2.319247 -2.976743 -0.103516
H -0.920529 -3.296430 -1.173589
H 1.262723 -3.265247 -0.271507
H 3.690684 -2.812664 -0.282118
H 2.457824 2.642630 0.247174
H 5.583096 -1.253980 -0.174750
H 4.897262 3.016253 0.230299
H 6.488843 1.077349 0.020023


