%chk=000186688.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186688

0 1
S 1.772736 -1.240115 -0.759124
S 1.703016 1.470103 0.405384
P -1.836183 -0.358048 1.117239
O -2.445868 -1.783786 0.599636
O -2.170984 0.668517 -0.138813
O -2.332313 -0.012695 2.458143
N -0.099953 -0.487389 0.979749
C 3.389291 -0.365468 -0.690200
C 0.626194 0.062236 -0.117839
C 3.315139 0.632528 0.447793
C 3.677128 0.258014 -2.040528
C -1.996108 -2.384721 -0.640552
C -2.891156 1.887981 0.194603
C -2.548830 -1.655355 -1.849872
C -2.037615 2.851709 0.995193
H 4.144799 -1.160931 -0.463804
H -0.027483 0.429634 -0.955438
H 3.456570 0.147178 1.433584
H 4.095129 1.417021 0.363947
H 0.462330 -0.776856 1.798595
H 2.962146 1.054242 -2.296069
H 4.678407 0.707567 -2.070990
H 3.630015 -0.481258 -2.852043
H -0.893652 -2.468898 -0.651295
H -2.434742 -3.400857 -0.536546
H -3.115841 2.272955 -0.821610
H -3.836543 1.630322 0.710339
H -2.363627 -2.219577 -2.771386
H -3.634365 -1.506785 -1.761045
H -2.110409 -0.654888 -1.983715
H -2.474469 3.858082 0.996117
H -1.940793 2.551186 2.051749
H -1.021568 2.939354 0.587100


%chk=000186688-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186688

0 1
S 1.935449 -0.919180 -1.342135
S 1.930089 1.453673 0.647106
P -1.656413 -0.363753 1.051133
O -2.448845 -1.864497 0.715130
O -2.080153 0.762044 -0.199943
O -1.995213 0.106570 2.527990
N -0.006707 -0.665470 0.561659
C 3.633507 -0.245040 -0.767108
C 0.808287 0.189953 -0.265572
C 3.436101 0.316526 0.651352
C 4.205569 0.769185 -1.768813
C -2.283413 -2.548142 -0.602908
C -2.919546 1.944464 0.179541
C -3.332195 -2.078167 -1.614271
C -2.043483 3.107122 0.649855
H 4.270346 -1.148387 -0.716462
H 0.162908 0.796196 -0.914229
H 3.280839 -0.486773 1.390793
H 4.294490 0.938650 0.958172
H 0.488057 -1.402306 1.072643
H 3.579703 1.677692 -1.800418
H 5.233249 1.059366 -1.473733
H 4.248747 0.339417 -2.783812
H -1.252136 -2.386631 -0.974391
H -2.410675 -3.614237 -0.349022
H -3.462126 2.179640 -0.750993
H -3.640059 1.645947 0.963025
H -3.246180 -2.673474 -2.543275
H -4.349581 -2.214019 -1.209073
H -3.188464 -1.013611 -1.864753
H -2.673769 3.996954 0.837629
H -1.524484 2.849236 1.589049
H -1.293500 3.372052 -0.115864


