%chk=000262024.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262024

0 1
P -0.003243 1.567347 -0.237874
O -1.222275 1.544357 0.868987
O 1.216979 1.550634 0.867793
O -0.006389 2.667294 -1.219051
N -0.000045 0.066610 -1.142299
N 0.003953 -2.294139 -1.398167
N 0.003013 -1.255842 0.825519
C 0.002369 -1.196214 -0.555313
C 0.006298 -3.521604 -0.804480
C 0.005339 -2.497755 1.389515
C -2.505765 1.366068 0.333513
C 2.500388 1.374601 0.331352
C 0.007039 -3.659681 0.596972
C -3.090582 2.321037 -0.506340
C 3.082093 2.330355 -0.509784
C -3.189877 0.230822 0.787711
C 3.187650 0.241360 0.785745
C 0.007989 -4.708094 -1.705714
C 0.005989 -2.557832 2.877825
C -4.415299 2.115132 -0.902264
C 4.406901 2.127334 -0.906873
C -4.513438 0.054983 0.381026
C 4.511226 0.068379 0.377858
C -5.123742 0.991017 -0.463249
C 5.118450 1.005226 -0.467727
H -0.000351 0.087434 -2.185189
H 0.008877 -4.641517 1.055035
H -2.536209 3.200905 -0.841411
H 2.525282 3.208666 -0.844824
H -2.684448 -0.475167 1.446160
H 2.684576 -0.465349 1.445242
H 0.008004 -4.420213 -2.771476
H 0.896429 -5.334856 -1.539029
H -0.879188 -5.336824 -1.539645
H 0.004656 -1.550010 3.332221
H 0.894190 -3.083349 3.257670
H -0.880419 -3.085925 3.258305
H -4.897450 2.841359 -1.557070
H 4.886680 2.854222 -1.562682
H -5.071988 -0.816230 0.721682
H 5.072195 -0.801241 0.718615
H -6.155018 0.843934 -0.778392
H 6.149759 0.860363 -0.783794


%chk=000262024-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262024

0 1
P -0.003196 1.450373 -0.432907
O -1.260972 1.505804 0.747300
O 1.255283 1.510020 0.746333
O -0.005562 2.561937 -1.570719
N -0.000801 -0.112577 -1.211520
N 0.003430 -2.419458 -1.542034
N 0.003035 -1.481720 0.719782
C 0.001959 -1.390431 -0.639335
C 0.006267 -3.683029 -1.014345
C 0.005880 -2.748904 1.240047
C -2.634353 1.418496 0.359685
C 2.628606 1.426360 0.357783
C 0.007578 -3.883494 0.390257
C -3.160225 2.144008 -0.732997
C 3.151479 2.152064 -0.736210
C -3.450434 0.617446 1.185066
C 3.447752 0.628895 1.183597
C 0.007830 -4.835835 -1.990934
C 0.007118 -2.869598 2.746191
C -4.544774 2.046231 -1.000755
C 4.536115 2.058167 -1.004889
C -4.833871 0.544477 0.910371
C 4.831198 0.559801 0.907962
C -5.383990 1.253309 -0.184062
C 5.378359 1.268892 -0.187787
H -0.001472 -0.094782 -2.236310
H 0.009871 -4.893820 0.808592
H -2.504759 2.769312 -1.348398
H 2.493701 2.774692 -1.351866
H -2.992907 0.075055 2.017484
H 2.992514 0.086197 2.017067
H 0.007974 -4.451681 -3.022139
H 0.898335 -5.475192 -1.847361
H -0.881769 -5.476694 -1.848331
H 0.005461 -1.866500 3.199033
H 0.898081 -3.421256 3.098964
H -0.881221 -3.424712 3.100162
H -4.966544 2.602243 -1.845218
H 4.955551 2.614389 -1.850377
H -5.478826 -0.069613 1.548465
H 5.478494 -0.051472 1.546392
H -6.456733 1.190794 -0.395760
H 6.451136 1.209405 -0.400178


