%chk=000196363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196363

0 1
S -4.867084 0.795835 1.532060
O 3.338066 -0.663630 -0.003150
O -0.164476 0.136413 0.304148
O 3.570892 -2.892805 0.110001
O -1.471390 -1.326045 -0.931902
N -2.366784 0.266193 0.589440
N -4.255557 0.024277 -0.922951
C 2.255492 0.346450 0.013415
C 2.485682 1.247142 1.227136
C 2.272060 1.066105 -1.335664
C 3.718222 2.139070 1.033093
C 3.509681 1.961077 -1.473619
C 3.643350 2.920999 -0.284553
C 1.010982 -0.549964 0.171107
C 1.323995 -1.859842 0.225404
C 2.815505 -1.964304 0.111678
C 0.490410 -3.064297 0.362717
C -1.389387 -0.439677 -0.136429
C -3.724363 0.298788 0.217161
C -6.288823 0.630033 0.396740
C -5.725953 0.115957 -0.944967
H 2.613583 0.626812 2.136678
H 1.581084 1.866545 1.390792
H 1.346136 1.667747 -1.435225
H 2.254315 0.323696 -2.159221
H 4.629304 1.503817 1.037787
H 3.817597 2.832840 1.887789
H 3.458724 2.526975 -2.421928
H 4.414687 1.320706 -1.539655
H 2.789441 3.623906 -0.263703
H 4.549992 3.543735 -0.404249
H 1.091955 -3.987451 0.315658
H -0.262065 -3.126544 -0.447563
H -0.056576 -3.079659 1.316803
H -2.051128 0.940621 1.300763
H -6.786553 1.610125 0.288362
H -7.022655 -0.071138 0.832675
H -6.132081 -0.893521 -1.193213
H -6.011984 0.787116 -1.788815


%chk=000196363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196363

0 1
S -4.921329 0.994334 1.503437
O 3.366611 -0.660911 -0.125088
O -0.172732 0.085855 0.484447
O 3.537289 -2.994694 -0.133459
O -1.450546 -1.206672 -1.058206
N -2.409142 0.325069 0.499615
N -4.306688 -0.207787 -0.885173
C 2.257074 0.339060 0.041285
C 2.578564 1.210954 1.279916
C 2.168012 1.182261 -1.254960
C 3.834095 2.084259 1.055768
C 3.426280 2.057579 -1.456974
C 3.703842 2.945985 -0.221999
C 1.046269 -0.557877 0.235636
C 1.351102 -1.886503 0.190800
C 2.823827 -1.979789 -0.038069
C 0.508714 -3.118666 0.349300
C -1.392668 -0.379558 -0.143002
C -3.773690 0.277430 0.185439
C -6.294149 0.864063 0.198309
C -5.786684 -0.194598 -0.835914
H 2.711685 0.551540 2.157486
H 1.698387 1.855191 1.476931
H 1.268244 1.825410 -1.178864
H 2.019851 0.503783 -2.115026
H 4.717397 1.423853 0.964273
H 3.994436 2.726577 1.942579
H 3.293930 2.680821 -2.361708
H 4.296019 1.397371 -1.637043
H 2.876212 3.675453 -0.095744
H 4.628559 3.533003 -0.378191
H 1.164079 -3.994923 0.485543
H -0.119720 -3.280867 -0.544594
H -0.171121 -3.041531 1.217192
H -2.110451 0.939681 1.259921
H -6.422531 1.859909 -0.253363
H -7.221272 0.548378 0.698971
H -6.129756 -1.209402 -0.554162
H -6.183702 0.030060 -1.840708


