%chk=000182013.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182013

0 1
P -2.574289 1.144721 0.054556
O -1.478629 0.390169 1.077185
O 2.703792 3.822579 0.851548
O -3.871405 1.000138 1.032888
O -2.953875 -0.014275 -1.026016
O -2.153385 2.462223 -0.447113
C 2.493430 0.446010 -0.166024
C 3.925318 0.711315 -0.557010
C 1.770819 -0.761421 -0.290364
C 1.895166 1.586156 0.375348
C 4.179108 2.186353 -0.181446
C 0.428019 -0.822166 0.181871
C 2.875167 2.712043 0.421163
C -0.154708 0.397123 0.649199
C 0.556667 1.589168 0.773963
C -0.266958 -2.104896 0.149823
C 2.370582 -1.919935 -0.915914
C 0.338991 -3.202440 -0.514161
C 1.675267 -3.074177 -1.054899
C -1.517120 -2.323752 0.787468
C -0.344612 -4.441774 -0.615705
C -2.167121 -3.540239 0.688773
C -1.586869 -4.605350 -0.033825
C -3.873954 1.846269 2.223184
C -2.718713 0.298120 -2.431894
C -4.125128 3.299452 1.875915
C -1.239820 0.273782 -2.763512
H 4.617667 0.034704 -0.021516
H 4.085837 0.537598 -1.637320
H 4.466279 2.796279 -1.056474
H 5.005181 2.296003 0.543573
H 0.091520 2.505181 1.148828
H 3.391944 -1.829618 -1.283748
H 2.108807 -3.941065 -1.553998
H -1.969480 -1.526550 1.386528
H 0.125336 -5.264354 -1.152214
H -3.132925 -3.684667 1.171802
H -2.119125 -5.551663 -0.115496
H -4.724209 1.397620 2.779773
H -2.940520 1.689484 2.796836
H -3.269165 -0.540002 -2.909651
H -3.200596 1.259117 -2.694421
H -4.314835 3.895443 2.776705
H -3.277682 3.771804 1.350387
H -4.996850 3.411461 1.215678
H -1.079938 0.169293 -3.843962
H -0.719864 1.193459 -2.454868
H -0.731419 -0.574321 -2.279143


%chk=000182013-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182013

0 1
P -2.662099 1.453053 -0.170658
O -1.515109 0.339623 0.540477
O 2.610692 3.795756 -0.481508
O -4.021138 0.930359 0.721494
O -3.024941 0.765987 -1.694149
O -2.270656 2.994868 -0.161972
C 2.642514 0.216672 -0.266026
C 4.128636 0.418348 -0.546658
C 1.946757 -1.012244 -0.065230
C 1.958391 1.438107 -0.214219
C 4.297847 1.960791 -0.663479
C 0.514416 -1.008261 0.188420
C 2.893372 2.568698 -0.452407
C -0.125997 0.292981 0.231726
C 0.566777 1.495641 0.043288
C -0.166263 -2.299353 0.378752
C 2.674318 -2.257865 -0.124700
C 0.615569 -3.519187 0.300203
C 2.034499 -3.465340 0.049518
C -1.569885 -2.446273 0.639498
C -0.011017 -4.791859 0.470377
C -2.161017 -3.707410 0.799326
C -1.383498 -4.895339 0.715410
C -4.070798 1.210502 2.198418
C -2.942386 1.642713 -2.913889
C -4.433790 2.667800 2.492144
C -1.519230 1.685548 -3.468401
H 4.750813 -0.000881 0.266633
H 4.435267 -0.098232 -1.475919
H 4.685943 2.276517 -1.648571
H 4.986959 2.373416 0.095365
H 0.054339 2.462399 0.099219
H 3.751664 -2.222808 -0.315246
H 2.592096 -4.407897 0.000560
H -2.190105 -1.556149 0.712929
H 0.610412 -5.692752 0.404094
H -3.237814 -3.772625 0.990073
H -1.855109 -5.875797 0.842309
H -4.852134 0.513073 2.541232
H -3.103543 0.920216 2.649906
H -3.645386 1.148867 -3.603920
H -3.313019 2.653256 -2.662507
H -4.543009 2.805895 3.584410
H -3.653863 3.358591 2.128779
H -5.390488 2.934816 2.011910
H -1.513675 2.230147 -4.431418
H -0.835925 2.210724 -2.778472
H -1.137686 0.665311 -3.644822


