%chk=000188367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188367

0 1
P -1.875619 1.563501 2.141222
P -4.395429 0.671057 0.621177
P -3.796563 -2.202498 -0.195033
O 0.364673 -0.215377 -1.763742
O -1.435201 -2.327669 -0.053859
O -1.426474 1.762709 0.577964
O -3.412206 1.080742 1.868948
O -1.144511 0.151677 2.571541
O -1.713865 2.652933 3.088713
O -3.557487 -0.547695 -0.089530
O -4.140210 1.857231 -0.448280
O -5.744517 0.315439 1.036124
O -3.401503 -2.678462 1.314210
O -5.410991 -2.333024 -0.100726
O -3.225437 -2.800541 -1.410227
N 2.677356 -0.460920 -1.350440
N 2.743911 0.078187 1.092374
N 4.706014 1.369323 1.765206
N 6.382735 2.044337 0.258484
C 1.402550 -1.188413 -1.528882
C -0.343886 -1.433649 0.180614
C -0.540510 -0.131668 -0.633514
C 0.976680 -2.038400 -0.325423
C -0.189066 1.155413 0.124568
C 3.224588 0.121000 -0.199636
C 3.529655 -0.116209 -2.448503
C 4.444238 0.786196 -0.576850
C 4.600889 0.619624 -1.995677
C 5.179922 1.410461 0.467646
C 3.531770 0.710215 2.002934
H 1.455824 -1.753932 -2.493354
H -0.370113 -1.279915 1.284668
H -1.553016 -0.068577 -1.100793
H 0.849533 -3.100840 -0.605139
H 1.736719 -2.046273 0.485964
H 0.218396 1.917230 -0.576778
H 0.532044 0.999900 0.949960
H 3.287881 -0.431451 -3.448878
H -1.426396 -2.702927 -1.011107
H 5.413550 1.003716 -2.580232
H 3.189822 0.700058 3.052113
H 6.839735 2.525328 1.019776
H 6.722043 2.208544 -0.671632
H -1.028068 -0.020646 3.544097
H -3.192114 1.992456 -0.773434
H -2.431513 -2.884118 1.497597
H -5.906634 -1.859175 0.642171


%chk=000188367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188367

0 1
P -1.758195 1.460698 2.198471
P -4.487935 0.689630 0.859620
P -4.590558 -2.222087 -0.262830
O 0.631969 -0.421777 -1.897653
O -1.178248 -2.618715 -0.860115
O -1.575199 1.497122 0.478659
O -3.437616 1.105222 2.202690
O -0.978357 -0.025121 2.578596
O -1.309515 2.694130 3.072866
O -3.716790 -0.690611 0.214596
O -4.229524 1.951583 -0.242752
O -5.988203 0.435032 1.291695
O -3.403140 -3.322619 0.118388
O -5.706405 -2.419069 1.000692
O -5.116989 -2.116932 -1.749060
N 2.934001 -0.622912 -1.065929
N 2.652211 0.665439 1.040394
N 4.600789 2.020466 1.640610
N 6.549928 2.124148 0.352742
C 1.649844 -1.301864 -1.226960
C -0.514285 -1.513607 -0.116993
C -0.522937 -0.228494 -0.969692
C 0.984618 -1.804057 0.080840
C -0.306945 1.095273 -0.208216
C 3.358586 0.266638 -0.063985
C 3.969238 -0.720065 -2.023680
C 4.680400 0.700799 -0.400422
C 5.049048 0.066312 -1.645089
C 5.287303 1.612779 0.521693
C 3.341684 1.536562 1.834380
H 1.830972 -2.120919 -1.945452
H -1.073622 -1.426798 0.822342
H -1.430632 -0.163564 -1.593162
H 1.166748 -2.876172 0.249466
H 1.358863 -1.231224 0.944304
H -0.101578 1.897945 -0.934453
H 0.530958 1.028685 0.511534
H 3.838741 -1.347153 -2.904072
H -0.929483 -2.620429 -1.816536
H 5.979287 0.164059 -2.201972
H 2.824351 1.894140 2.729628
H 6.900216 2.773148 1.055591
H 7.126749 1.880216 -0.447116
H -0.591601 -0.063151 3.491006
H -3.247832 2.108159 -0.391412
H -2.470994 -3.131766 -0.321147
H -6.230722 -1.584181 1.204298


