%chk=000194248.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194248

0 1
P -2.951752 0.800250 0.043892
P -3.073714 -1.875951 1.336678
O -2.775001 2.208130 0.817892
O -1.814538 -2.779486 0.832670
O -2.543148 -0.318979 1.224391
O 2.936653 1.981195 -0.772550
O 3.053404 -0.394480 -1.457251
O -4.565715 0.705556 -0.016159
O -2.994634 -2.203166 2.918001
O -2.166306 0.474816 -1.160876
O -4.366243 -1.971456 0.637316
O -0.250488 3.848715 -1.973404
O 0.932684 0.312215 -2.693814
N 1.060661 1.481276 2.354143
N 2.198296 -3.123743 0.731601
C -0.357507 2.510503 0.666541
C 0.158618 -2.397196 -0.381050
C -1.706716 3.074206 0.327363
C -1.325407 -2.596073 -0.528553
C 0.700238 2.505015 -0.259768
C 0.877253 -1.418203 -1.112226
C 1.932514 1.976395 0.158255
C 2.257156 -1.310404 -0.871051
C 2.099849 1.486510 1.489242
C 2.904291 -2.204460 0.065161
C -0.137840 1.974466 1.949718
C 0.847928 -3.214482 0.516374
C 3.417357 0.985216 1.973462
C 4.371785 -2.094743 0.298601
C 0.571603 3.015056 -1.665685
C 0.247408 -0.517151 -2.100969
H -1.914582 4.006597 0.901622
H -1.851190 3.296296 -0.755867
H -1.557853 -3.559247 -1.035828
H -1.826113 -1.765937 -1.070691
H -0.950541 1.933876 2.689870
H 0.323873 -3.976120 1.109703
H 4.171973 1.785460 1.982768
H 3.344972 0.611389 3.011963
H 3.798275 0.143722 1.366565
H 4.605160 -1.179508 0.873367
H 4.763719 -2.952678 0.869120
H 4.925163 -2.041135 -0.651934
H 1.279395 2.570622 -2.388037
H -0.836375 -0.606568 -2.297484
H 3.688694 1.368080 -0.513125
H 2.513642 0.217211 -2.140135
H -4.997171 -0.232515 -0.003304
H -2.083632 -2.166993 3.343785


%chk=000194248-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194248

0 1
P -3.226084 0.801930 0.024541
P -3.022237 -1.879367 1.505802
O -2.916194 2.353388 0.644843
O -1.789739 -2.884288 0.874958
O -2.449699 -0.261429 1.238264
O 3.122344 2.561553 -0.494560
O 3.171217 -0.511597 -1.300598
O -4.874052 0.626057 0.334575
O -2.827410 -2.187767 3.154349
O -2.652258 0.452673 -1.416371
O -4.523212 -2.005898 0.987265
O -0.207094 4.304406 -1.982357
O 1.091092 0.530751 -2.246843
N 0.853354 1.546234 2.252143
N 2.278660 -3.675485 0.306975
C -0.443732 2.702842 0.519053
C 0.203151 -2.638459 -0.499527
C -1.804059 3.153403 0.014569
C -1.304962 -2.753164 -0.555423
C 0.748358 2.912408 -0.243032
C 0.952814 -1.537098 -1.033976
C 1.965527 2.381860 0.268659
C 2.380558 -1.540996 -0.844332
C 1.993793 1.709010 1.525314
C 3.011996 -2.632294 -0.162023
C -0.326618 2.022599 1.754844
C 0.918384 -3.671010 0.138416
C 3.287596 1.164509 2.090701
C 4.505587 -2.647938 0.035991
C 0.762668 3.618148 -1.550645
C 0.357484 -0.411908 -1.765545
H -2.054294 4.180067 0.326099
H -1.880703 3.096446 -1.082645
H -1.622674 -3.691415 -1.039079
H -1.798836 -1.900888 -1.052759
H -1.209687 1.841197 2.371346
H 0.386978 -4.533167 0.554643
H 4.030636 1.966287 2.270402
H 3.073435 0.676812 3.053419
H 3.750622 0.411455 1.420581
H 4.826430 -1.833906 0.714188
H 4.805536 -3.613145 0.470561
H 5.035188 -2.483961 -0.919499
H 1.696076 3.511540 -2.139698
H -0.737302 -0.334238 -1.894412
H 3.869782 2.013067 -0.146586
H 2.546851 0.147192 -1.815640
H -5.124918 -0.345348 0.516221
H -1.894255 -2.338968 3.457128


