%chk=000183380.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183380

0 1
O -2.420365 -2.745133 0.079791
O -4.100508 -2.564502 -1.490203
O -1.156090 1.642345 -0.833404
O 1.300584 2.259636 -0.692578
O 2.684211 -2.779635 0.631064
O -5.925720 1.179464 2.174432
O 3.662072 2.985115 -0.552600
O 6.987917 -0.301415 0.634553
C -3.232838 -0.524524 -0.600485
C -1.745706 -0.581432 -0.384728
C -3.653771 -1.990886 -0.288358
C -3.936286 0.490261 0.301426
C -1.358000 -1.883615 -0.026627
C -0.756769 0.406977 -0.501051
C 0.607592 0.064546 -0.258127
C -5.392922 0.710589 -0.114237
C 0.934180 -1.263386 0.092745
C -0.026534 -2.258913 0.217760
C 1.629740 1.111890 -0.379904
C 2.368950 -1.645817 0.346336
C 3.032880 0.758935 -0.120403
C 3.410818 -0.557054 0.231187
C -6.210284 1.322491 1.007282
C 4.053748 1.733835 -0.213577
C 4.729471 -0.893986 0.478864
C -7.417427 2.104215 0.572071
C 5.719408 0.114735 0.374725
C 5.409097 1.430164 0.031503
H -3.451833 -0.304298 -1.678922
H -4.348919 -2.181301 0.545664
H -3.379961 1.453733 0.257349
H -3.883552 0.180288 1.368288
H -5.436822 1.338232 -1.026618
H -5.870709 -0.249821 -0.405003
H 0.235132 -3.282305 0.491744
H -4.032837 -3.546521 -1.470167
H -0.344707 2.321514 -0.901370
H 5.017088 -1.914614 0.750291
H -8.023319 1.570273 -0.168974
H -7.127362 3.066003 0.126765
H -8.068614 2.335590 1.429186
H 6.172172 2.193941 -0.045727
H 4.422242 3.628067 -0.601001
H 7.658754 0.427816 0.554142


%chk=000183380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183380

0 1
O -2.472746 -2.728391 0.090687
O -3.956575 -2.514783 -1.800950
O -1.125284 1.670662 -1.009005
O 1.277092 2.311333 -0.857904
O 2.686576 -2.761902 0.816566
O -5.809441 1.461353 2.291125
O 3.828238 3.052097 -0.691435
O 7.046770 -0.337937 0.759679
C -3.241181 -0.503460 -0.646251
C -1.742559 -0.578826 -0.441012
C -3.661107 -1.992059 -0.496885
C -3.945917 0.441932 0.362530
C -1.371303 -1.868093 -0.018071
C -0.757215 0.416615 -0.592685
C 0.619285 0.085268 -0.300465
C -5.428249 0.669977 0.009197
C 0.944126 -1.240925 0.132177
C -0.045851 -2.236077 0.278807
C 1.642896 1.127462 -0.457984
C 2.358701 -1.594036 0.435096
C 3.051791 0.804652 -0.158527
C 3.401593 -0.519190 0.275931
C -6.219196 1.399731 1.101892
C 4.115211 1.756296 -0.276227
C 4.726592 -0.879108 0.574778
C -7.532875 2.042401 0.671963
C 5.752410 0.080876 0.448375
C 5.451825 1.393229 0.025360
H -3.480734 -0.184611 -1.677875
H -4.475578 -2.184003 0.226490
H -3.417593 1.411441 0.356494
H -3.864002 0.043817 1.390458
H -5.528170 1.224792 -0.945138
H -5.949333 -0.298239 -0.162615
H 0.231837 -3.239583 0.608180
H -4.144045 -3.486919 -1.742684
H -0.232977 2.227205 -1.047394
H 4.948833 -1.897472 0.902349
H -8.093011 1.390918 -0.023605
H -7.317438 2.984141 0.129438
H -8.151351 2.279222 1.551649
H 6.251367 2.141274 -0.072460
H 4.653999 3.600994 -0.725539
H 7.708791 0.389423 0.648594


