%chk=000187141.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187141

0 1
S 2.298524 -1.493691 -1.363431
P 0.292829 -1.155075 -1.789101
O -0.441210 -2.608846 -1.730032
O 0.007915 -0.392537 -0.326233
O 3.962632 1.171964 0.198580
O -0.055566 -0.390705 -2.996394
C 3.038419 0.129941 -1.794324
C 2.833789 1.151463 -0.683461
C -0.126268 -3.590494 -0.705058
C -1.222107 0.198852 -0.063502
C 3.962160 0.146402 1.230458
C -2.021209 0.818787 -1.031159
C -1.568015 0.184083 1.298105
C -0.571155 -3.154914 0.674729
C 5.005246 0.630280 2.222784
C -3.207922 1.426553 -0.611178
C -2.754496 0.805228 1.688277
C -3.577597 1.421269 0.737758
H 4.124902 -0.067051 -1.933768
H 2.659466 0.495747 -2.770046
H 1.894300 1.015670 -0.112682
H 2.854137 2.184605 -1.093371
H -0.728576 -4.446963 -1.083094
H 0.945861 -3.856471 -0.753111
H 2.955594 0.068798 1.675510
H 4.239712 -0.811829 0.759298
H -1.739294 0.845229 -2.089137
H -0.909149 -0.291938 2.018816
H -0.579193 -4.002072 1.372120
H 0.078561 -2.381621 1.111440
H -1.590009 -2.738337 0.657870
H 5.165387 -0.097112 3.024590
H 5.967613 0.809018 1.723486
H 4.708775 1.585235 2.676226
H -3.847792 1.912513 -1.348802
H -3.040892 0.809181 2.739729
H -4.503571 1.899140 1.049510


%chk=000187141-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187141

0 1
S 2.525762 -1.583352 -0.468901
P 0.490978 -0.831723 -1.179574
O -0.443078 -2.148587 -1.802641
O -0.166341 -0.507069 0.415460
O 4.671679 0.813738 -0.234792
O 0.506495 0.372819 -2.217785
C 3.528307 -0.658394 -1.810684
C 3.809244 0.791594 -1.419016
C -0.314151 -3.534872 -1.258164
C -1.478905 0.009346 0.636329
C 4.144684 1.618902 0.884025
C -2.167256 0.800787 -0.311074
C -2.035617 -0.282154 1.900750
C -1.098630 -3.733542 0.040566
C 5.134622 1.483896 2.039850
C -3.449057 1.292710 0.024076
C -3.312345 0.228861 2.221521
C -4.025798 1.013066 1.284487
H 4.463122 -1.239327 -1.875452
H 2.978590 -0.719730 -2.764755
H 2.859105 1.336561 -1.257509
H 4.349576 1.281465 -2.256793
H -0.724637 -4.147520 -2.077714
H 0.760415 -3.772928 -1.132401
H 4.044219 2.680897 0.570489
H 3.140614 1.241258 1.170937
H -1.711969 1.034605 -1.279306
H -1.465543 -0.890118 2.609648
H -1.078969 -4.804173 0.318825
H -0.664789 -3.151896 0.871785
H -2.151367 -3.429299 -0.087877
H 4.788123 2.067772 2.912083
H 5.231959 0.426493 2.340304
H 6.131051 1.853648 1.741925
H -3.992479 1.903888 -0.704771
H -3.748018 0.009497 3.202476
H -5.017796 1.403186 1.535076


