%chk=000257482.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257482

0 1
S 1.318990 1.452039 0.851357
O 1.696973 2.655918 0.114139
O 1.398496 1.474283 2.298700
O 1.163294 -1.436452 1.446237
O 5.247838 -0.038733 -1.948180
O -4.838821 -1.475141 0.703219
N -4.180660 0.037950 -0.912579
C -0.274045 1.013747 0.353607
C 2.360811 0.180554 0.238926
C -1.060936 0.171700 1.146709
C -0.798724 1.539538 -0.833220
C 2.225742 -1.159299 0.620745
C 3.392889 0.528649 -0.627555
C -2.868694 0.342773 -0.447028
C -2.352123 -0.175797 0.753613
C -2.086312 1.210780 -1.246042
C 4.264586 -0.476134 -1.086178
C 3.098179 -2.165702 0.172789
C 4.133944 -1.816937 -0.693033
C -5.105489 -0.852814 -0.301067
C -6.418743 -0.939213 -1.024739
H -0.658988 -0.221713 2.090555
H -0.193378 2.225159 -1.440527
H 3.539766 1.568469 -0.954913
H -2.957613 -0.840876 1.378744
H -2.478514 1.626550 -2.169665
H 2.972615 -3.195995 0.493216
H 4.826276 -2.574309 -1.054750
H -4.469252 0.517727 -1.769421
H 1.165776 -2.371866 1.769723
H 5.855717 -0.769953 -2.212586
H -6.313839 -1.307192 -2.054179
H -7.086518 -1.646641 -0.501619
H -6.946642 0.023831 -1.059200


%chk=000257482-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257482

0 1
S 1.328861 1.419486 0.888845
O 1.722371 2.747369 0.007883
O 1.372180 1.452042 2.517373
O 1.427499 -1.611872 1.602814
O 5.367666 0.050393 -2.078567
O -5.174344 -1.358214 0.794406
N -4.327563 0.034574 -0.897999
C -0.405636 0.919282 0.337579
C 2.505905 0.062285 0.233436
C -1.191788 0.130835 1.190823
C -0.874536 1.437246 -0.880685
C 2.447412 -1.266468 0.707910
C 3.469612 0.498909 -0.682070
C -3.010971 0.305115 -0.437471
C -2.509728 -0.185686 0.801080
C -2.188387 1.118170 -1.268662
C 4.423380 -0.430118 -1.156748
C 3.410404 -2.183739 0.224489
C 4.394740 -1.768931 -0.698182
C -5.327322 -0.746587 -0.300461
C -6.628683 -0.788729 -1.101038
H -0.782671 -0.219373 2.142676
H -0.234365 2.086688 -1.486270
H 3.478719 1.544514 -1.008205
H -3.153221 -0.797493 1.434660
H -2.581038 1.508801 -2.216012
H 3.392270 -3.226412 0.565377
H 5.134073 -2.495134 -1.058450
H -4.576889 0.472982 -1.788280
H 1.532646 -2.538819 1.929805
H 6.011278 -0.656089 -2.333494
H -6.466468 -1.202475 -2.113768
H -7.346363 -1.428836 -0.568802
H -7.066443 0.221183 -1.208192


