%chk=000256623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256623

0 1
P -2.806821 1.985816 -0.624434
O -0.451646 -1.692281 -0.588095
O -2.612106 0.479995 0.032839
O -1.059897 -1.281191 2.655084
O -2.021438 -4.087762 -1.035879
O -1.717515 1.865144 -1.875364
O -2.022992 3.003692 0.360556
O 0.610667 2.178995 0.525261
O -4.190191 2.269585 -0.982659
N 1.073501 -0.031650 0.084579
N 2.805367 1.527153 0.836730
N 4.988771 0.787817 1.159062
C -1.381382 0.134049 0.672252
C -1.727944 -1.190063 1.410697
C -0.330787 -0.280981 -0.399130
C -1.293491 -2.310597 0.442408
C -2.472048 -2.943893 -0.309802
C 2.012415 -1.050203 0.014709
C 1.486476 1.335969 0.497078
C 3.317141 -0.827427 0.372945
C 3.699163 0.498976 0.787024
H -1.043194 0.933845 1.373975
H -2.807101 -1.226437 1.696995
H -0.467973 0.180926 -1.412030
H -0.646729 -3.078056 0.917581
H -2.948930 -2.218392 -0.996799
H -3.227191 -3.363301 0.384347
H -0.085333 -1.195221 2.555505
H 1.667417 -2.039513 -0.333867
H -1.404173 -3.805993 -1.748985
H 4.048506 -1.627621 0.333852
H -2.025800 2.094190 -2.783956
H -1.006850 3.078357 0.273392
H 5.243165 1.728797 1.431625
H 5.715638 0.096579 1.121704


%chk=000256623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256623

0 1
P -2.829406 1.954670 -0.628056
O -0.404892 -1.766308 -0.602839
O -2.605980 0.361442 0.073790
O -0.684260 -1.450361 2.635196
O -2.257089 -3.741925 -1.445896
O -2.130332 1.586692 -2.183371
O -1.723014 2.949617 0.143488
O 0.696097 2.234161 -0.033572
O -4.330654 2.433415 -0.644992
N 1.138562 -0.059460 0.119112
N 2.834198 1.586214 0.626440
N 4.969617 0.936454 1.252457
C -1.334598 0.024519 0.721175
C -1.574312 -1.307814 1.478909
C -0.271821 -0.342189 -0.358831
C -1.358324 -2.389171 0.402289
C -2.615968 -2.818262 -0.368524
C 2.045129 -1.082258 0.316129
C 1.547143 1.322697 0.238409
C 3.344913 -0.816722 0.702339
C 3.707563 0.574207 0.862080
H -1.007805 0.823509 1.408177
H -2.587987 -1.325641 1.904048
H -0.432173 0.215247 -1.298486
H -0.840651 -3.277699 0.805267
H -3.150048 -1.926025 -0.748830
H -3.285584 -3.388671 0.297641
H 0.263386 -1.463040 2.342536
H 1.668377 -2.087871 0.112200
H -1.632705 -3.263207 -2.050141
H 4.056572 -1.630360 0.853131
H -2.454700 2.161686 -2.922436
H -0.709271 2.721007 0.049000
H 5.174845 1.931518 1.339498
H 5.691863 0.249232 1.451861


