%chk=000191049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191049

0 1
P 0.419008 0.502722 0.464443
O -1.160927 0.883319 0.229661
O 0.622074 -0.624194 -0.719769
O 1.109330 1.791439 -0.294141
O 0.873446 0.170406 1.819590
C -2.802874 -1.439090 -2.529810
C -2.977960 -0.214432 -1.598789
C -3.049340 -0.532339 -0.135465
C -1.743843 -2.405779 -1.995539
C -4.134357 -2.158886 -2.779642
C -2.104843 -0.007711 0.771641
C -4.067089 -1.333014 0.402609
C -2.155292 -0.246062 2.149178
C -4.133351 -1.594500 1.773773
C -3.182299 -1.053363 2.644463
C 1.902315 -1.178153 -0.853668
C 1.157486 2.998980 0.412458
C 2.536846 -1.851219 0.196164
C 0.638378 4.101400 -0.280070
C 2.442748 -1.098618 -2.144127
C 1.771017 3.109296 1.665320
C 3.765682 -2.462099 -0.071666
C 0.744567 5.359987 0.313838
C 3.667891 -1.723483 -2.382727
C 1.856998 4.382061 2.237647
C 4.328879 -2.401568 -1.350920
C 1.349437 5.501232 1.569049
H -2.442548 -1.042021 -3.514752
H -3.890065 0.346625 -1.890740
H -2.135188 0.489240 -1.785927
H -2.055233 -2.873372 -1.054944
H -0.795640 -1.885007 -1.795009
H -1.534261 -3.207769 -2.709202
H -3.995208 -3.034166 -3.423171
H -4.584166 -2.512640 -1.842069
H -4.861210 -1.502399 -3.267787
H -4.810276 -1.766384 -0.273091
H -1.411055 0.178064 2.827796
H -4.931785 -2.222472 2.165598
H -3.238718 -1.257051 3.712883
H 2.098858 -1.898674 1.196212
H 0.173356 3.960946 -1.253741
H 1.907376 -0.562754 -2.925523
H 2.168899 2.237027 2.189736
H 4.285196 -2.991116 0.727782
H 0.351515 6.235282 -0.202933
H 4.111374 -1.679419 -3.377265
H 2.327231 4.498083 3.214509
H 5.285490 -2.882790 -1.545391
H 1.424432 6.486038 2.026026


%chk=000191049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191049

0 1
P 0.599666 0.259080 0.615860
O -1.080978 0.386050 0.305340
O 1.027254 -0.980047 -0.498968
O 1.161416 1.642047 -0.240806
O 1.076994 0.087137 2.121681
C -3.276133 -0.658554 -2.512559
C -3.478916 0.195260 -1.212675
C -3.293916 -0.552566 0.098919
C -1.848608 -1.242779 -2.613748
C -4.339150 -1.770731 -2.670895
C -2.088539 -0.489117 0.845912
C -4.337662 -1.337196 0.656689
C -1.907218 -1.161098 2.073927
C -4.181644 -2.037359 1.872774
C -2.961573 -1.952105 2.579596
C 2.350045 -1.525167 -0.615974
C 1.077795 2.981024 0.268594
C 3.188169 -1.746201 0.498249
C 0.896949 3.978372 -0.710989
C 2.728017 -1.894379 -1.922771
C 1.230161 3.293333 1.637009
C 4.448833 -2.347563 0.278318
C 0.866250 5.331039 -0.306760
C 3.986140 -2.504915 -2.119017
C 1.183475 4.652879 2.022273
C 4.851080 -2.729622 -1.022035
C 1.004299 5.672326 1.059375
H -3.411733 0.056169 -3.352614
H -4.504680 0.613467 -1.238984
H -2.774507 1.044777 -1.248816
H -1.651516 -1.959030 -1.795036
H -1.080904 -0.451327 -2.550698
H -1.717617 -1.780174 -3.572111
H -4.223937 -2.277128 -3.647438
H -4.234432 -2.537907 -1.881961
H -5.366599 -1.361916 -2.619780
H -5.292235 -1.386752 0.120345
H -0.970229 -1.057598 2.630907
H -5.008482 -2.635851 2.269657
H -2.829918 -2.481730 3.529098
H 2.867326 -1.456910 1.503914
H 0.786033 3.686063 -1.759065
H 2.041958 -1.703310 -2.752989
H 1.382689 2.501398 2.377329
H 5.112401 -2.521928 1.132241
H 0.728764 6.114530 -1.059767
H 4.289747 -2.798524 -3.129660
H 1.295855 4.910800 3.080936
H 5.827891 -3.198807 -1.179762
H 0.974221 6.722142 1.369431


