%chk=000200858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200858

0 1
P -4.451842 0.467545 -1.370438
O -4.002535 2.067804 -1.395927
O -3.725117 -0.085390 -2.761863
O -5.920356 0.275037 -1.373537
N 0.164600 -0.337799 1.106092
N 0.830886 -0.241047 0.035465
N 4.206167 0.281808 -1.348024
N 4.408246 0.448686 1.102375
N 2.172344 -0.133603 -2.386755
N 2.591768 0.196736 2.514350
N 6.283479 0.662423 -0.305305
C -3.408870 -0.231074 -0.058943
C -2.035942 -0.004160 -0.074105
C -1.254055 -0.563981 0.956112
C -4.028017 -0.987467 0.935628
C -1.860113 -1.329834 1.971513
C -3.240343 -1.537565 1.955391
C 2.200065 -0.000496 0.078887
C 2.857667 0.048488 -1.214013
C 3.053668 0.211481 1.227572
C 4.927762 0.463468 -0.178079
H -1.552921 0.593726 -0.853555
H -5.108975 -1.161126 0.940931
H -1.245819 -1.759405 2.764449
H -3.707373 -2.131680 2.740401
H -4.693453 2.708824 -1.701827
H -4.322798 -0.207871 -3.542467
H 2.654195 -0.095956 -3.272166
H 1.178691 -0.311999 -2.387330
H 3.226460 0.361204 3.282393
H 1.611743 0.044697 2.727043
H 6.700852 0.743011 -1.218522
H 6.845440 0.859815 0.507052


%chk=000200858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200858

0 1
P -4.387570 0.042498 -1.546216
O -4.087743 1.690618 -2.053870
O -3.462603 -0.751661 -2.764943
O -5.943906 -0.277980 -1.423249
N 0.210063 -0.361973 1.163811
N 0.817051 -0.018373 0.028275
N 4.170296 0.609551 -1.342766
N 4.448841 0.023918 1.038195
N 2.046646 0.678076 -2.321042
N 2.574201 -0.475089 2.364727
N 6.266023 0.530148 -0.330045
C -3.365740 -0.306407 -0.058309
C -1.965951 -0.183843 -0.101218
C -1.211120 -0.449943 1.074206
C -4.050584 -0.691477 1.120443
C -1.890460 -0.831552 2.264007
C -3.294432 -0.952634 2.285069
C 2.189287 0.091634 0.036112
C 2.823235 0.464274 -1.219031
C 3.095096 -0.120974 1.157804
C 4.908562 0.381220 -0.203148
H -1.447075 0.102386 -1.018812
H -5.141324 -0.789319 1.113563
H -1.295826 -1.032775 3.161556
H -3.802377 -1.253081 3.207206
H -4.867066 2.283855 -1.898052
H -3.761666 -0.565075 -3.690552
H 2.489470 0.937658 -3.199192
H 1.037041 0.567442 -2.232124
H 3.208923 -0.623558 3.148841
H 1.535521 -0.570293 2.393643
H 6.651839 0.793913 -1.232843
H 6.858850 0.373121 0.480755


