%chk=000191814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191814

0 1
P 4.421015 0.022888 3.219786
P -4.696728 0.812235 -0.298397
O 3.677582 -0.411371 -1.477708
O 3.282618 1.977745 -3.632160
O 4.615129 2.695591 -1.639525
O 4.640510 0.432623 1.663255
O 3.117176 0.961947 3.595407
O 3.674044 -1.447209 3.112317
O 5.574904 0.077311 4.118166
O -6.256686 1.331762 -0.472156
O -4.277393 1.708005 1.026249
O -4.439793 -2.612880 3.037416
O -3.817894 0.962349 -1.472012
O -4.236772 -3.868989 1.185487
N 1.375277 -0.586031 -1.957730
N -0.320157 -2.137002 -1.755226
N 0.535927 1.080265 -0.263810
N -2.667619 -1.667169 0.186279
N -1.600203 0.407001 0.732655
C 2.650873 1.541934 -2.445672
C 2.662757 -0.015848 -2.405116
C 3.462620 1.972906 -1.188576
C 4.019643 0.674341 -0.567640
C 3.454593 0.325655 0.811733
C 0.489709 -0.087624 -0.994559
C 0.828947 -1.855188 -2.370518
C -0.566935 -1.057625 -0.889154
C -1.637939 -0.769816 0.011044
C -3.808485 -1.419815 1.093336
C -5.040248 -0.900498 0.369595
C -0.527732 1.251377 0.557765
C -4.167241 -2.786145 1.707697
H 1.629554 1.980290 -2.500776
H 2.962046 -0.483872 -3.375404
H 2.868097 2.588158 -0.483790
H 5.141546 0.671064 -0.550133
H 2.682816 1.034748 1.172930
H 3.066716 -0.716190 0.825419
H 4.278377 1.956122 -3.524564
H 4.370097 3.627459 -1.846862
H 1.331343 -2.469928 -3.106920
H -3.494388 -0.724925 1.935506
H -2.736841 -2.465805 -0.460450
H -5.920002 -0.845046 1.051830
H -5.358476 -1.565655 -0.462508
H -0.544907 2.173209 1.165292
H 2.984016 1.205887 4.544027
H 4.116613 -2.220313 3.540893
H -6.383206 2.241195 -0.849494
H -3.295798 1.768746 1.229650
H -4.690501 -3.461868 3.498928


%chk=000191814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191814

0 1
P 5.134043 1.764859 3.108294
P -5.046016 1.154119 0.457469
O 3.352705 -0.916045 -0.980744
O 3.864923 1.129249 -3.401505
O 4.331839 2.599750 -1.279981
O 4.747937 1.450241 1.476440
O 3.644099 1.341006 3.832370
O 6.089373 0.430181 3.662087
O 5.764272 3.196429 3.325689
O -6.499477 1.621411 1.279356
O -3.903909 1.066280 1.712725
O -5.725084 -3.263388 1.498787
O -4.654986 2.038721 -0.811824
O -4.599522 -3.899759 -0.435785
N 1.168660 -0.866110 -1.966440
N -0.795711 -2.013399 -2.300772
N 0.495821 0.484649 0.026600
N -3.195422 -1.565064 -0.486060
N -1.814203 0.022711 0.678370
C 2.839176 1.024395 -2.369000
C 2.576413 -0.490620 -2.160706
C 3.401340 1.508879 -1.009072
C 4.104360 0.246564 -0.449696
C 4.062984 0.175638 1.075048
C 0.285788 -0.428574 -0.973130
C 0.464010 -1.820713 -2.724744
C -0.916581 -1.145513 -1.204619
C -2.012041 -0.902648 -0.323572
C -4.326719 -1.604702 0.450979
C -5.500368 -0.639157 0.111455
C -0.599547 0.657206 0.801153
C -4.866427 -3.040617 0.431571
H 1.924209 1.568274 -2.668176
H 2.937703 -1.035159 -3.050837
H 2.578840 1.821534 -0.343701
H 5.148017 0.210075 -0.818226
H 3.026267 0.187496 1.449093
H 4.619094 -0.688542 1.477761
H 4.438190 1.906031 -3.147566
H 4.753324 2.868558 -0.424264
H 0.924074 -2.332213 -3.567661
H -3.977329 -1.376800 1.475268
H -3.223869 -2.251379 -1.252004
H -6.359913 -0.866232 0.763420
H -5.796497 -0.723599 -0.946853
H -0.530053 1.385715 1.613122
H 3.643433 1.259545 4.818712
H 7.065521 0.603773 3.674487
H -6.559368 2.590335 1.474290
H -2.959885 0.649295 1.366435
H -6.094888 -4.186686 1.457760


