%chk=000191834.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191834

0 1
P -2.247750 1.388118 -0.862373
P -4.219263 1.068899 1.478739
O 1.688722 1.385661 1.402718
O 2.568077 4.481881 0.720034
O 0.158447 4.050677 0.065242
O -1.282522 0.238962 -0.205807
O -3.157375 1.795768 0.461485
O -3.272702 0.519055 -1.750836
O -1.636259 2.574789 -1.462561
O -4.459310 -0.284097 0.553933
O -5.540564 1.951483 1.141599
O -3.886641 0.888704 2.884560
O -3.495954 -2.352569 -1.335471
O -1.991823 -3.895988 -1.403816
N 3.783636 1.157505 0.369796
N 5.509551 -0.366443 0.221447
N 2.872368 0.892541 -1.961531
N 4.162659 -0.702885 -3.298816
N 6.011667 -1.904863 -2.445681
N -2.557168 -2.973325 -0.846188
C 2.409210 3.255763 0.032869
C 0.936947 2.921395 -0.320953
C 2.856084 2.117002 1.000937
C 0.536789 1.727845 0.583979
C 0.149413 0.459270 -0.184639
C 3.732670 0.621821 -0.924397
C 4.883722 0.495049 1.024615
C 4.823173 -0.314798 -1.004640
C 5.019556 -0.984601 -2.249387
C 3.157430 0.202091 -3.102087
C -4.337138 -1.577127 1.186908
C -2.888532 -1.924679 1.440194
C -2.076341 -2.589315 0.499923
C -2.327940 -1.597530 2.683377
C -0.744590 -2.924871 0.801703
C -0.997962 -1.911119 2.979292
C -0.205834 -2.579876 2.040834
H 3.061811 3.345501 -0.865801
H 0.805997 2.714046 -1.407389
H 3.300966 2.502524 1.951560
H -0.233938 2.024622 1.337047
H 0.536662 0.432073 -1.222775
H 0.505128 -0.444370 0.359999
H 1.686889 4.838791 1.027472
H -0.626394 4.138386 -0.551626
H 5.139949 0.716825 2.052374
H 2.502801 0.390331 -3.972159
H 6.676292 -2.100991 -1.711959
H 6.143998 -2.336434 -3.347813
H -3.609206 -0.381506 -1.370311
H -4.818337 -2.237525 0.426662
H -4.942352 -1.612677 2.116302
H -5.644876 2.293713 0.208064
H -2.929785 -1.062528 3.434296
H -0.137645 -3.458044 0.060582
H -0.578561 -1.627895 3.948116
H 0.830648 -2.830334 2.274252


%chk=000191834-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191834

0 1
P -2.375201 2.200466 -0.148304
P -4.667923 0.610788 1.265077
O 2.130190 2.103376 1.679219
O 2.926971 4.781945 0.074239
O 0.438116 4.544042 -0.283768
O -1.516110 1.482377 1.155509
O -3.955540 2.019313 0.543536
O -2.250637 1.203300 -1.500325
O -2.083422 3.710741 -0.509485
O -4.087794 -0.496573 0.063440
O -6.292271 0.986801 0.917958
O -4.434336 0.155922 2.756782
O -2.458777 -1.488860 -2.031928
O -1.005664 -3.208717 -2.353284
N 3.825576 1.255298 0.185555
N 5.389088 -0.423754 -0.003513
N 2.086754 0.344089 -1.361722
N 2.762719 -1.812389 -2.334576
N 4.828082 -2.850416 -1.843023
N -1.623111 -2.387104 -1.586353
C 2.577511 3.425972 -0.313639
C 1.029190 3.218491 -0.216268
C 3.193655 2.469661 0.735208
C 0.795907 2.518829 1.158175
C -0.040777 1.227081 1.112018
C 3.287914 0.318725 -0.707914
C 5.078681 0.747588 0.576553
C 4.270619 -0.704198 -0.810829
C 3.967087 -1.803034 -1.667133
C 1.912678 -0.755752 -2.156677
C -3.840563 -1.928735 0.426763
C -2.390696 -2.160738 0.807246
C -1.358202 -2.437062 -0.133333
C -2.031320 -2.181982 2.176961
C -0.038984 -2.764345 0.252479
C -0.709694 -2.472633 2.584189
C 0.284802 -2.773597 1.623391
H 2.948823 3.208915 -1.332336
H 0.692735 2.575438 -1.050430
H 3.974675 3.011828 1.294399
H 0.361845 3.238244 1.877188
H 0.218058 0.623924 0.223561
H 0.121800 0.647510 2.033191
H 2.078058 5.309589 -0.022755
H -0.555433 4.453826 -0.431151
H 5.712699 1.282208 1.281253
H 0.980887 -0.796458 -2.730226
H 5.730654 -2.849203 -1.371789
H 4.574469 -3.596117 -2.488300
H -2.562916 0.240157 -1.460736
H -4.141820 -2.475691 -0.478731
H -4.497719 -2.205829 1.269076
H -6.412729 1.687050 0.223551
H -2.799397 -1.952225 2.923130
H 0.707548 -2.987272 -0.516187
H -0.459209 -2.470050 3.649752
H 1.306952 -3.006059 1.937208


