%chk=000186031.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186031

0 1
S 0.030853 0.182945 -1.126725
P -1.846610 -0.505020 -0.462883
O -1.556066 -0.584201 1.158093
O -1.816590 -2.036209 -1.022593
O -0.935226 2.791913 0.338960
O 3.710004 -0.678326 -0.532580
O -3.034303 0.250707 -0.893529
O 1.025323 3.382454 -0.632797
O 1.885081 -1.548545 0.489474
C 0.700137 1.131863 0.294880
C 2.196642 0.885100 0.289242
C 0.345829 2.557411 -0.072509
C 2.508186 -0.580727 0.123846
C -2.652386 -0.182279 2.036234
C -0.889793 -2.997572 -0.431479
C -1.619436 4.004392 -0.151090
C 4.254513 -2.012098 -0.792331
C -2.325461 1.184571 2.601874
C -1.505167 -3.611138 0.811263
C -3.016207 3.541218 -0.492001
C 4.853066 -2.582684 0.475703
H 0.232511 0.819061 1.268603
H 2.664893 1.253986 1.230688
H 2.701657 1.479581 -0.518295
H -2.629208 -0.975213 2.810596
H -3.628944 -0.195823 1.513476
H 0.103492 -2.541343 -0.234127
H -0.806244 -3.726729 -1.263590
H -1.572284 4.710534 0.693721
H -1.064240 4.406158 -1.018461
H 5.009049 -1.776727 -1.565929
H 3.449011 -2.643078 -1.207288
H -3.097244 1.521426 3.303514
H -2.248027 1.949390 1.808558
H -1.365632 1.184084 3.132516
H -0.997405 -4.545438 1.080326
H -2.567726 -3.842409 0.658871
H -1.430211 -2.939986 1.679552
H -3.006084 2.538786 -0.969900
H -3.655947 3.439375 0.391603
H -3.509995 4.221532 -1.194868
H 5.555992 -1.880493 0.942357
H 4.073490 -2.806031 1.219477
H 5.396009 -3.514819 0.278451


%chk=000186031-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186031

0 1
S -0.176254 -0.035840 -1.731329
P -2.233727 -0.446905 -0.729795
O -1.764658 -0.540725 0.940230
O -2.514886 -2.074204 -1.229144
O -1.051803 2.585254 -0.040611
O 3.880677 -0.899600 -0.522713
O -3.484209 0.476935 -1.048244
O 0.963064 3.360092 -0.929344
O 2.100265 -1.216983 0.954057
C 0.681450 0.974218 -0.337434
C 2.198009 0.795739 -0.483607
C 0.257018 2.429807 -0.476167
C 2.673922 -0.538915 0.070214
C -2.609639 0.124362 1.985054
C -1.544946 -3.168838 -0.907416
C -1.702175 3.910166 -0.315377
C 4.532259 -2.150213 -0.016001
C -1.664211 0.664739 3.053523
C -1.890534 -3.840385 0.422040
C -3.159402 3.781122 0.113189
C 5.388107 -1.852347 1.217835
H 0.306737 0.534468 0.602173
H 2.702993 1.602279 0.085164
H 2.536049 0.915869 -1.525798
H -3.289571 -0.649312 2.387037
H -3.206326 0.924805 1.512494
H -0.514841 -2.763045 -0.908439
H -1.661609 -3.859155 -1.759626
H -1.148337 4.686232 0.243052
H -1.597167 4.113382 -1.396125
H 5.138984 -2.487034 -0.871272
H 3.742790 -2.888661 0.208832
H -2.251381 1.074256 3.897091
H -1.034140 1.470792 2.641288
H -1.012660 -0.136849 3.441297
H -1.234655 -4.719042 0.571800
H -2.938071 -4.187606 0.422169
H -1.738801 -3.144281 1.263390
H -3.637015 2.933460 -0.407282
H -3.241147 3.622488 1.203364
H -3.702908 4.709957 -0.138963
H 6.133309 -1.067972 1.000380
H 4.759460 -1.526275 2.063399
H 5.929283 -2.766635 1.524520


