%chk=000246518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246518

0 1
P 0.084034 0.070241 0.083595
O 1.558558 0.312805 0.770164
O -0.328028 -1.322787 0.861256
O -0.797711 1.127790 0.983819
O -0.033317 0.119375 -1.376488
C 2.294213 1.442159 0.401563
C 0.238089 -2.525734 0.430274
C -4.898366 1.412501 0.276822
C 3.781163 3.149869 1.204057
C 1.141431 -4.631705 1.150237
C 3.263999 2.969572 -1.172867
C 0.822657 -4.162496 -1.222258
C -2.170123 1.165521 0.688245
C -6.379961 1.540146 0.042899
C 2.429841 1.865966 -0.920172
C 0.310796 -2.889382 -0.913922
C 2.948762 2.057472 1.475794
C 0.641873 -3.364825 1.475902
C 3.933110 3.603854 -0.117994
C 1.232340 -5.024611 -0.196664
C -4.387516 0.301865 0.969694
C -4.020921 2.396624 -0.207932
C -3.015603 0.167035 1.185765
C -2.644287 2.283350 -0.006800
C 4.506308 3.840679 2.312226
C 1.587901 -5.566454 2.226350
C 3.435112 3.446316 -2.578041
C 0.915836 -4.581726 -2.652718
C -6.787485 0.869770 -1.268838
H -6.944841 1.092197 0.886382
H -6.678921 2.608591 0.028710
H 1.921026 1.365050 -1.747165
H -0.018152 -2.223174 -1.714850
H 2.801945 1.678507 2.483672
H 0.561937 -3.021860 2.503714
H 4.577898 4.454649 -0.320168
H 1.625957 -6.007376 -0.441336
H -5.066030 -0.464993 1.342350
H -4.414153 3.255857 -0.750265
H -2.608090 -0.688502 1.727625
H -1.950988 3.038064 -0.373488
H 5.594576 3.805995 2.157697
H 4.220089 4.900717 2.374805
H 4.305992 3.394635 3.295566
H 2.669856 -5.754762 2.160519
H 1.389465 -5.180628 3.235134
H 1.083123 -6.539931 2.147672
H 2.466181 3.559661 -3.086796
H 4.021213 2.724003 -3.166583
H 3.950446 4.412772 -2.642628
H 1.486788 -3.851231 -3.245861
H 1.401746 -5.556586 -2.783714
H -0.083131 -4.650924 -3.109174
H -6.270141 1.318417 -2.125798
H -7.864701 0.961496 -1.444564
H -6.539496 -0.198735 -1.266823


%chk=000246518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246518

0 1
P 0.048169 -0.011154 0.071880
O 1.566707 0.383827 0.780627
O -0.271935 -1.506797 0.872910
O -0.990614 1.044732 0.960528
O -0.071596 0.004522 -1.510980
C 2.347187 1.525927 0.393676
C 0.350685 -2.744535 0.489307
C -5.179735 1.450311 0.305070
C 3.896160 3.244360 1.154004
C 1.370961 -4.813073 1.268195
C 3.301182 3.051181 -1.243363
C 0.967895 -4.433537 -1.148137
C -2.395476 1.136247 0.689616
C -6.670862 1.613014 0.046278
C 2.460347 1.946722 -0.943928
C 0.406304 -3.163192 -0.852311
C 3.045153 2.153613 1.444905
C 0.822360 -3.541341 1.551543
C 4.006836 3.683499 -0.192686
C 1.437885 -5.240512 -0.085252
C -4.613878 0.167267 0.522495
C -4.311470 2.572850 0.292867
C -3.226841 -0.002521 0.721646
C -2.919448 2.425950 0.476486
C 4.679841 3.931752 2.259164
C 1.891448 -5.700733 2.385893
C 3.439343 3.526098 -2.679856
C 1.045075 -4.909747 -2.588762
C -7.023361 1.494176 -1.461422
H -7.236113 0.845254 0.608548
H -7.012377 2.597533 0.419228
H 1.905404 1.434267 -1.737448
H 0.027099 -2.517020 -1.651506
H 2.913917 1.785770 2.467029
H 0.756671 -3.160511 2.575257
H 4.657980 4.536006 -0.423921
H 1.866805 -6.224860 -0.312284
H -5.267761 -0.712917 0.546955
H -4.727268 3.575294 0.134608
H -2.795941 -0.990955 0.912858
H -2.243361 3.285956 0.464976
H 5.761514 3.712735 2.174481
H 4.565117 5.030136 2.209958
H 4.349053 3.599566 3.257869
H 2.979348 -5.874335 2.283578
H 1.715030 -5.250053 3.377182
H 1.400994 -6.691908 2.371519
H 2.452131 3.748398 -3.125226
H 3.912493 2.751234 -3.312233
H 4.056666 4.438269 -2.746543
H 1.620202 -4.201456 -3.213589
H 1.530048 -5.898128 -2.661722
H 0.037443 -4.992718 -3.037623
H -6.498113 2.267122 -2.051162
H -8.110318 1.615302 -1.622868
H -6.722686 0.508210 -1.859712


