%chk=000255061.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255061

0 1
S 4.602947 0.963215 0.143758
S -3.345314 2.021073 -0.366018
O 2.941857 1.046949 -0.191759
O -1.801587 2.718367 -0.447093
O -1.326272 -0.111374 1.716322
O 4.791578 -0.176388 0.997053
O 4.987255 2.273016 0.593391
O -3.204440 0.709693 -0.970557
O -4.248695 2.964962 -0.961010
N 0.255255 -0.028058 0.079280
C 0.637961 1.371972 0.377748
C 0.501424 2.270645 -0.866170
C 2.086874 1.403261 0.913889
C -0.901360 2.253731 -1.470896
C -0.761208 -0.669910 0.783812
C -1.079005 -2.049203 0.299842
C 5.145179 0.650653 -1.472641
C -0.333031 -3.144690 0.751536
C -2.151017 -2.224669 -0.583894
C -3.534719 1.941006 1.340385
C -0.663316 -4.428491 0.309018
C -2.473136 -3.512391 -1.022047
C -1.731276 -4.611470 -0.577045
H -0.050278 1.762324 1.185987
H 0.763753 3.310390 -0.576510
H 1.243403 1.974424 -1.635804
H 2.230532 0.665586 1.728034
H 2.364454 2.417226 1.261690
H -1.192731 1.239981 -1.814016
H -0.988340 2.973503 -2.307525
H 0.764428 -0.490269 -0.668554
H 5.821994 1.428541 -1.863484
H 5.689544 -0.302943 -1.573538
H 4.318426 0.592086 -2.201804
H 0.492911 -2.998694 1.447223
H -2.733600 -1.355091 -0.923629
H -3.210070 2.852343 1.868084
H -4.565364 1.753242 1.674555
H -2.925466 1.124047 1.805425
H -0.090945 -5.286450 0.657418
H -3.306510 -3.656251 -1.708527
H -1.986796 -5.613793 -0.918629


%chk=000255061-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255061

0 1
S 3.792967 -0.055359 -0.194173
S -3.579890 2.351694 -0.628312
O 3.161704 1.680416 0.064718
O -1.805600 3.021256 -0.589580
O -1.465703 0.053098 1.427341
O 2.880987 -0.805296 -1.319459
O 4.031861 -0.777267 1.232223
O -3.550574 0.917238 -1.390039
O -4.566044 3.521525 -1.146661
N 0.379559 0.128534 0.016895
C 0.632801 1.558436 0.268660
C 0.495431 2.409869 -1.018277
C 1.983246 1.789733 0.971519
C -0.924847 2.396895 -1.601787
C -0.665263 -0.545047 0.629594
C -0.826721 -2.005423 0.306715
C 5.419105 0.507710 -0.978801
C 0.201257 -2.796744 -0.272461
C -2.073381 -2.604868 0.621494
C -3.749283 2.129219 1.245790
C -0.026311 -4.164985 -0.536834
C -2.298536 -3.969637 0.351527
C -1.274693 -4.754440 -0.230119
H -0.151890 1.874973 0.982569
H 0.785689 3.453006 -0.790415
H 1.193513 2.043469 -1.796435
H 2.112331 1.108342 1.834513
H 2.064144 2.836276 1.319695
H -1.263916 1.361358 -1.805331
H -0.966738 2.985077 -2.537688
H 0.987524 -0.357067 -0.656299
H 5.944976 1.079406 -0.203666
H 5.948746 -0.410475 -1.267381
H 5.138508 1.125271 -1.841591
H 1.185550 -2.373155 -0.503400
H -2.847713 -1.978486 1.074808
H -3.561934 3.123828 1.672641
H -4.780885 1.787645 1.411689
H -2.982944 1.384365 1.516454
H 0.772823 -4.771171 -0.977253
H -3.267808 -4.420897 0.589936
H -1.446751 -5.816221 -0.439519


