%chk=000115311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115311

0 1
P 1.069024 1.965439 -1.141163
P -0.380605 2.311335 1.564981
P 2.190676 1.458774 3.209408
O 1.324848 -1.173488 0.955130
O 3.496414 -3.432103 0.574812
O 2.308691 1.075492 -0.535783
O -0.113059 1.927421 -0.030786
O -4.662040 0.046383 -0.961765
O 1.769887 3.419687 -0.884878
O 0.600478 1.645460 -2.492343
O 1.109798 2.140792 2.122014
O -1.100671 0.954433 2.080712
O -1.053017 3.591211 1.693904
O 1.621681 -0.034016 3.451995
O 3.351137 1.205308 2.085707
O 2.459803 2.262001 4.383461
N -0.806763 -2.042388 0.571479
N -2.974484 -1.426868 1.084980
N -0.673359 -1.045255 -1.720658
N -2.801219 0.038357 -2.396506
N -0.936265 -0.029996 -3.857068
C 2.674783 -2.690235 -0.331116
C 2.529899 -1.217293 0.148953
C 0.574708 -2.423196 0.871848
C 1.269225 -3.289062 -0.185700
C 2.385454 -0.279435 -1.054832
C -1.296610 -1.344516 -0.546843
C -1.884221 -2.022826 1.548318
C -2.657580 -0.986684 -0.213942
C -3.386333 -0.294448 -1.216621
C -1.471318 -0.333727 -2.611248
C -5.390450 0.766845 -2.008834
H 3.087511 -2.785607 -1.355731
H 3.328357 -0.880299 0.851122
H 0.620044 -2.860616 1.901392
H 1.327942 -4.350334 0.132338
H 0.729309 -3.280719 -1.156561
H 1.504170 -0.557105 -1.681490
H 3.304235 -0.285859 -1.677844
H 4.438930 -3.177829 0.492536
H -1.757875 -2.476173 2.522357
H 1.204049 4.235430 -0.907762
H -1.424390 0.688874 -4.386144
H 0.078812 0.079669 -3.893498
H -6.369980 0.893223 -1.533237
H -5.443713 0.153674 -2.913868
H -4.899208 1.723899 -2.210422
H -2.072914 0.811078 1.879485
H 1.485368 -0.620612 2.618759
H 3.193442 1.573902 1.156853


%chk=000115311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115311

0 1
P 1.623404 2.232927 -1.260384
P -0.318796 2.650848 1.257359
P 2.163869 1.514622 3.145493
O 1.397442 -1.280279 1.074019
O 3.220210 -3.702959 0.765625
O 2.492262 1.030063 -0.377342
O 0.159559 2.579829 -0.441421
O -4.939592 -0.467622 -0.926141
O 2.675461 3.514077 -0.880445
O 1.390181 1.871906 -2.783045
O 1.193598 2.392075 1.914687
O -1.110550 1.149209 1.466490
O -1.149860 3.951166 1.574422
O 1.409222 0.024751 3.272757
O 3.505175 1.320156 2.109615
O 2.389937 2.293690 4.487833
N -0.846189 -2.068058 0.605113
N -3.084208 -1.850397 1.093974
N -0.768389 -0.781344 -1.525507
N -3.006531 -0.002163 -2.198482
N -1.107484 0.572212 -3.430212
C 2.676294 -2.808909 -0.260399
C 2.622510 -1.336305 0.234596
C 0.523443 -2.479044 0.804423
C 1.193020 -3.182403 -0.396885
C 2.504950 -0.359699 -0.936903
C -1.401580 -1.324158 -0.451064
C -1.910341 -2.327101 1.509871
C -2.790531 -1.225653 -0.136961
C -3.583995 -0.555005 -1.111026
C -1.632587 -0.091880 -2.353322
C -5.716948 0.238616 -1.972197
H 3.233463 -2.904740 -1.213179
H 3.471070 -1.078450 0.893625
H 0.562149 -3.102068 1.714004
H 1.063054 -4.273332 -0.342132
H 0.772047 -2.807366 -1.343768
H 1.560900 -0.535060 -1.488210
H 3.379099 -0.435259 -1.608403
H 4.171944 -3.492834 0.942636
H -1.744968 -2.870809 2.438310
H 2.305172 4.430139 -0.959503
H -1.760620 1.109825 -3.996709
H -0.114933 0.837632 -3.424922
H -6.755335 0.180079 -1.617410
H -5.596264 -0.264632 -2.945786
H -5.380805 1.285123 -2.060882
H -2.091502 1.196670 1.609397
H 1.365150 -0.542740 2.397926
H 3.270021 1.402653 1.126365


