%chk=000115789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115789

0 1
P -2.834450 -0.193687 -1.227622
O -0.022681 -1.435869 1.555218
O -3.262036 -0.949054 0.201003
O -3.539750 1.264988 -1.008406
O -3.829922 -0.872502 -2.321641
O -1.368282 0.352073 1.924050
O -1.394036 -0.296193 -1.512576
O 3.695694 2.080712 -3.110024
O 5.128647 2.668028 -1.601726
N 4.113109 2.092474 -1.963421
C -2.241459 -1.724308 0.847919
C 1.883202 -0.006671 0.998275
C 1.133001 -0.727809 2.084905
C -1.225669 -0.766752 1.503754
C 3.060767 0.676998 1.357572
C 1.445011 -0.004201 -0.330505
C 3.339432 1.362226 -0.939389
C 3.791818 1.361731 0.391752
C 2.168499 0.683282 -1.306676
C -2.977307 -2.502160 1.906700
C -2.396720 -3.442041 2.645545
C -2.781044 2.185835 -0.178736
C -5.249368 -0.735539 -2.038251
H -1.720285 -2.396031 0.115491
H 1.724930 -1.562043 2.514831
H 0.801628 -0.033401 2.884690
H 3.404272 0.676415 2.391505
H 0.525665 -0.535087 -0.621314
H 4.709803 1.899088 0.652949
H 1.825215 0.694895 -2.348685
H -4.031712 -2.222019 1.998185
H -1.352013 -3.718088 2.561030
H -2.926989 -4.009375 3.400206
H -3.431502 3.071872 -0.156608
H -1.819389 2.432427 -0.646719
H -2.651144 1.785062 0.840313
H -5.705069 -1.257827 -2.892862
H -5.547492 0.321827 -2.035156
H -5.510372 -1.238874 -1.098574


%chk=000115789-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115789

0 1
P -3.028848 0.028772 -1.043778
O 0.026822 -0.933385 1.568179
O -3.353492 -1.017404 0.326514
O -4.174673 1.276541 -0.800502
O -3.708730 -0.764082 -2.387586
O -1.703482 0.552458 2.096955
O -1.490881 0.378558 -1.214687
O 4.402845 1.641394 -3.283148
O 6.104423 1.460858 -1.775651
N 4.853993 1.400561 -2.097754
C -2.194501 -1.634542 1.020785
C 2.038714 0.344588 0.959573
C 1.057325 0.027147 2.068545
C -1.297461 -0.528980 1.617565
C 3.424028 0.415195 1.255748
C 1.584059 0.615044 -0.358289
C 3.879456 1.033957 -1.040555
C 4.356263 0.765509 0.260436
C 2.506658 0.958743 -1.365190
C -2.789742 -2.484885 2.119035
C -2.494876 -3.795071 2.294065
C -3.942521 2.275813 0.280677
C -5.145829 -1.150205 -2.379025
H -1.588992 -2.235620 0.320674
H 1.550391 -0.467903 2.921203
H 0.528646 0.933010 2.422111
H 3.778643 0.193853 2.269203
H 0.518509 0.547571 -0.606959
H 5.428051 0.827214 0.465097
H 2.180582 1.168926 -2.387088
H -3.485362 -1.957240 2.784012
H -1.802590 -4.328044 1.631425
H -2.938362 -4.370339 3.113655
H -4.925802 2.742648 0.436493
H -3.208760 3.023837 -0.063102
H -3.587356 1.785396 1.203013
H -5.289278 -1.665012 -3.339897
H -5.780561 -0.251200 -2.317269
H -5.355306 -1.833277 -1.537485


