%chk=000196772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196772

0 1
P 2.303336 -0.092495 0.763488
P 0.753963 1.794708 -0.791042
P 0.060723 -0.111822 -3.165112
O -0.248985 -2.938806 0.730023
O -0.029530 -5.087041 -1.707095
O 1.967013 -1.689015 0.908221
O -2.439457 2.923807 2.328471
O 0.859113 0.374769 0.061575
O 3.475105 -0.148442 -0.360402
O 2.517447 0.483756 2.099889
O 0.689919 1.325245 -2.280153
O 2.400657 1.990742 -0.417859
O -0.107951 2.876083 -0.338947
O 0.320955 0.689869 -4.575511
O -1.376916 -0.153369 -2.756530
O 0.981886 -1.253487 -2.978233
N -1.736139 -1.187734 0.261740
N -2.705581 0.845754 0.055560
N -0.451937 -0.697906 2.394551
N -0.776451 1.580874 3.216785
N 0.826153 0.149260 4.244477
C -1.481186 -2.665953 0.078457
C -1.389610 -3.101721 -1.379655
C 0.035095 -3.662625 -1.561429
C 0.758514 -3.423400 -0.213097
C 1.905740 -2.416294 -0.347619
C -1.315275 -0.396941 1.351497
C -2.554846 -0.371419 -0.540509
C -1.966978 0.851760 1.244771
C -3.483779 2.000335 -0.466710
C -1.788891 1.910121 2.277598
C -0.132524 0.423939 3.256017
C -2.901871 2.501862 -1.776785
H -2.258456 -3.194824 0.688487
H -2.135997 -3.886378 -1.614136
H -1.578450 -2.273288 -2.102847
H 0.563535 -3.208422 -2.437814
H 1.084653 -4.378628 0.262721
H 1.776875 -1.742496 -1.233659
H 2.878506 -2.942053 -0.445483
H -2.943505 -0.666589 -1.525238
H 0.028370 -5.340197 -2.650878
H -4.545396 1.684253 -0.583787
H -3.454400 2.814574 0.313175
H 0.093351 -1.579348 2.374205
H -1.982460 3.091337 -1.602946
H -3.609640 3.156801 -2.297757
H -2.629843 1.685523 -2.470013
H 1.690389 -0.298161 3.909635
H 1.053237 0.961982 4.826908
H 3.727587 0.692749 -0.858777
H 2.697404 2.859756 -0.047347
H 0.158028 1.668496 -4.557482


%chk=000196772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196772

0 1
P 2.668737 -0.679613 0.891870
P 1.446356 1.707786 -0.920819
P 0.020357 0.249192 -3.439864
O 0.208898 -2.502000 0.526039
O -0.431050 -5.322010 -0.727627
O 3.065243 -2.025585 -0.080078
O -3.255590 2.742414 2.369197
O 1.490433 0.213510 -0.047687
O 4.059106 0.263051 0.883450
O 2.147563 -1.013793 2.353887
O 1.272735 1.331300 -2.533109
O 3.177266 2.013493 -0.813274
O 0.520683 2.799393 -0.257372
O 0.398955 0.909637 -4.983149
O -1.424711 0.668433 -2.882552
O 0.572505 -1.245301 -3.348943
N -1.689782 -1.099972 0.224312
N -3.031759 0.671309 0.055183
N -0.564222 -0.435918 2.362816
N -1.379936 1.656496 3.314675
N 0.539014 0.593291 4.159638
C -1.181336 -2.488406 0.057863
C -1.157363 -3.011588 -1.384987
C -0.006940 -4.048097 -1.330064
C 1.007279 -3.429763 -0.341329
C 2.114205 -2.642927 -1.047728
C -1.463774 -0.286887 1.341081
C -2.637919 -0.469675 -0.558595
C -2.315963 0.813600 1.259685
C -3.946789 1.704305 -0.512961
C -2.381873 1.822606 2.338072
C -0.506027 0.645199 3.277317
C -3.155491 2.850619 -1.169331
H -1.774484 -3.140544 0.729744
H -2.110277 -3.472756 -1.693134
H -0.866019 -2.215736 -2.096108
H 0.428286 -4.201880 -2.335625
H 1.420870 -4.207948 0.321471
H 1.706646 -1.881654 -1.738090
H 2.766396 -3.334570 -1.607740
H -2.949247 -0.790876 -1.544879
H -0.996329 -5.818990 -1.370964
H -4.598367 1.194543 -1.243684
H -4.550679 2.081594 0.328722
H 0.237174 -1.093806 2.297291
H -2.522389 3.362721 -0.426215
H -3.871772 3.586692 -1.576032
H -2.519395 2.464232 -1.982858
H 1.344546 -0.008982 3.957314
H 0.615332 1.364512 4.819482
H 4.006312 1.027490 0.201620
H 3.538320 2.714991 -1.407034
H 0.097766 1.846370 -5.105498


