%chk=000188020.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188020

0 1
O 1.540675 -0.368685 -0.063086
O -1.442768 -0.282309 0.986345
O -0.364523 1.282783 -0.398288
O 0.590309 -3.480362 0.235049
O -1.399499 0.241376 -2.669180
O 0.390797 -1.021096 2.853868
O -4.193339 0.574528 -1.934746
O 1.934909 -1.862219 -2.086009
O -4.504533 1.664575 0.738996
O 3.332798 -2.861084 0.486130
O -2.158132 0.421019 3.803450
O 0.680366 1.613443 1.602185
O 2.999103 0.551951 -1.757206
O 1.253646 1.461914 -2.838806
C 0.332336 -1.100266 -0.371812
C -0.845070 -0.065035 -0.277448
C 0.192343 -2.213430 0.716833
C -1.923563 -0.107800 -1.401225
C 1.117033 -1.738188 1.875548
C 2.149298 -0.820338 1.189330
C -3.089381 0.851723 -1.065653
C 0.545015 -1.645354 -1.801114
C -2.529684 0.598799 1.405464
C -3.650570 0.584468 0.346387
C 3.485214 -1.468154 0.818533
C -2.994154 -0.014799 2.737376
C 0.519341 1.928461 0.453194
C 1.088114 3.097132 -0.315588
C 2.371444 2.705808 -1.048165
C 2.114965 1.548825 -1.987006
H -0.858397 -2.378138 1.053252
H -2.298813 -1.151211 -1.547019
H 1.551846 -2.588612 2.440869
H 2.306198 0.128472 1.761791
H -2.787438 1.915892 -1.196121
H 0.009203 -2.604630 -1.944001
H 0.255538 -0.918661 -2.600628
H -2.107291 1.618703 1.550652
H -4.240715 -0.361339 0.352229
H 4.238821 -1.352441 1.614730
H 3.870847 -1.018120 -0.128696
H 1.566104 -3.484628 0.002511
H -3.993427 0.393321 3.009719
H -3.024203 -1.117821 2.692242
H -0.776671 1.032324 -2.611290
H 0.004369 -0.172270 2.451713
H -3.888975 0.595840 -2.876157
H 2.373529 -2.352983 -1.340596
H -5.225807 1.770520 0.070092
H 3.439769 -3.423107 1.283005
H 1.286492 3.933323 0.391258
H 0.333266 3.473037 -1.047476
H -1.313106 -0.096628 3.811233
H 2.757244 3.571755 -1.630494
H 3.178101 2.441472 -0.327692
H 2.699927 -0.359854 -2.184881


%chk=000188020-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188020

0 1
O 1.586431 -0.373420 0.054536
O -1.529741 -0.237681 1.044331
O -0.337640 1.353880 -0.379833
O 0.632136 -3.512083 0.488411
O -1.434001 0.287689 -2.697637
O 0.442519 -0.727772 2.984912
O -4.150623 0.706806 -2.057035
O 1.920684 -1.769284 -2.127153
O -4.817272 1.478407 0.635183
O 3.234887 -2.785411 0.099757
O -2.179322 0.104875 3.804667
O 0.743150 1.750222 1.674802
O 2.957619 0.570466 -2.215777
O 0.966426 1.574077 -2.834291
C 0.329044 -1.101004 -0.260048
C -0.874566 -0.038160 -0.213490
C 0.199490 -2.183191 0.895635
C -1.923508 -0.076648 -1.371364
C 1.107027 -1.629587 2.050150
C 2.226225 -0.864608 1.297843
C -3.109128 0.858213 -1.037692
C 0.511027 -1.751943 -1.688352
C -2.707032 0.606403 1.421255
C -3.759664 0.523008 0.305654
C 3.527372 -1.595883 0.956146
C -3.181958 0.016922 2.757160
C 0.563239 2.006980 0.458908
C 1.215276 3.147366 -0.315734
C 2.421786 2.696296 -1.200360
C 2.044665 1.577138 -2.171883
H -0.834730 -2.297191 1.235495
H -2.300280 -1.113809 -1.460535
H 1.471136 -2.473900 2.657828
H 2.510325 0.029384 1.886602
H -2.741179 1.905491 -1.021673
H 0.141910 -2.790475 -1.643661
H -0.020410 -1.191095 -2.466972
H -2.367421 1.650740 1.559009
H -4.171604 -0.509143 0.243828
H 4.027416 -1.924202 1.887215
H 4.186779 -0.915479 0.386533
H 1.626890 -3.501772 0.357334
H -4.048007 0.604273 3.103298
H -3.510487 -1.032285 2.583676
H -0.667081 0.943027 -2.664354
H 0.366064 0.186173 2.567101
H -3.699199 0.778255 -2.939867
H 2.479710 -2.210176 -1.417370
H -5.404557 1.547804 -0.162024
H 4.044657 -3.339634 -0.015746
H 1.565090 3.900799 0.409299
H 0.450301 3.597589 -0.971157
H -1.377194 -0.444278 3.563990
H 2.757554 3.579885 -1.775357
H 3.264597 2.355610 -0.579135
H 2.524073 -0.375760 -2.398453


