%chk=000265518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265518

0 1
S 4.535362 -1.953531 0.721352
P -4.055775 -1.047172 -0.717284
O -1.400709 1.826618 0.832148
O -3.979400 0.477451 -1.338550
O -2.843940 -1.089368 0.391500
O -5.374553 -0.867049 0.258832
O -4.093679 -2.131000 -1.691045
N 0.344135 0.602415 -0.197935
N 1.327173 -1.430959 0.268708
N 2.423900 2.012850 -0.188083
N 4.434066 0.695340 0.266025
C -3.063961 1.437413 -0.823862
C -2.766069 1.371829 0.701192
C -1.682810 1.338921 -1.500335
C -0.661554 1.659460 -0.400137
C -2.900247 -0.008149 1.354846
C 1.723136 0.842762 -0.062494
C 0.172082 -0.808486 0.031066
C 2.326020 -0.441589 0.219799
C 3.728087 -0.452992 0.379715
C 3.762229 1.868358 -0.010815
C 6.276033 -1.511974 0.840894
H -3.585312 2.390946 -1.092167
H -3.337700 2.134791 1.279864
H -1.520529 0.347942 -1.970350
H -1.597864 2.048137 -2.345770
H -0.130615 2.641858 -0.525639
H -2.015831 -0.221571 1.999260
H -3.822184 -0.103895 1.965014
H -0.811701 -1.275639 -0.000509
H -6.185222 -1.392967 0.040215
H 4.383314 2.775428 -0.095518
H 6.460100 -0.778487 1.638114
H 6.654123 -1.074941 -0.093661
H 6.842495 -2.425552 1.060712


%chk=000265518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265518

0 1
S 4.711416 -2.038138 0.729939
P -4.075595 -0.930404 -0.866044
O -1.375899 1.741012 1.053097
O -4.174122 0.778493 -1.169909
O -3.087613 -0.927164 0.565791
O -5.692390 -1.151796 -0.337500
O -3.558509 -1.921706 -1.981637
N 0.405382 0.501133 -0.005896
N 1.408242 -1.499821 0.520492
N 2.428130 1.907958 -0.279776
N 4.491010 0.635801 0.087130
C -3.021790 1.598782 -0.712057
C -2.821701 1.553368 0.837439
C -1.651661 1.182385 -1.306182
C -0.614618 1.527304 -0.210011
C -3.332926 0.245030 1.467325
C 1.785500 0.740913 -0.010784
C 0.242453 -0.861447 0.326883
C 2.391494 -0.512959 0.308204
C 3.811088 -0.519616 0.346078
C 3.784493 1.773113 -0.206808
C 6.480591 -1.403836 0.622287
H -3.311439 2.608224 -1.039568
H -3.325138 2.400285 1.338206
H -1.631161 0.101066 -1.527235
H -1.433267 1.714387 -2.244626
H -0.059650 2.458396 -0.417866
H -2.766770 0.013210 2.382228
H -4.413695 0.307711 1.693343
H -0.743397 -1.313705 0.427413
H -6.088034 -2.020518 -0.606366
H 4.377676 2.669894 -0.405499
H 6.632285 -0.600262 1.355667
H 6.678637 -1.024689 -0.389478
H 7.113580 -2.275203 0.850823


