%chk=000191442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191442

0 1
S 5.890691 0.055188 0.378358
O -0.723187 0.028985 0.021913
O 6.606762 1.120329 -0.285039
O 6.022230 -0.184642 1.797287
O -0.410520 0.929378 -2.054648
O -6.999543 -0.036234 -0.489102
O -6.724593 -0.771198 1.526891
N 6.359123 -1.399711 -0.401682
N -6.301676 -0.357129 0.459270
C 4.197618 0.182697 -0.016021
C 1.494955 0.379339 -0.646718
C 3.807496 0.852831 -1.177697
C 3.246507 -0.380357 0.836772
C 2.450735 0.952781 -1.500278
C 1.886145 -0.284927 0.523211
C 0.065402 0.504945 -1.037900
C -2.110654 -0.014245 0.013095
C -2.930101 0.349080 -1.061087
C -2.626636 -0.487308 1.237537
C -4.841290 -0.236836 0.304433
C -4.310685 0.234603 -0.908011
C -4.002856 -0.597379 1.378327
H 4.557714 1.311693 -1.833597
H 3.557659 -0.887308 1.758592
H 2.132516 1.472513 -2.409254
H 1.131929 -0.721137 1.184556
H -2.505965 0.717651 -2.001488
H -1.947121 -0.754910 2.046240
H -4.987521 0.509588 -1.727072
H -4.447220 -0.960551 2.313392
H 6.997148 -1.342124 -1.193248
H 6.615338 -2.198703 0.175263


%chk=000191442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191442

0 1
S 6.054048 0.057391 0.315409
O -0.762174 -0.005157 0.051361
O 6.809089 1.198189 -0.566667
O 6.200360 -0.091372 1.929903
O -0.378095 1.050730 -2.022293
O -7.150011 0.078742 -0.544569
O -6.888917 -0.870316 1.514437
N 6.515948 -1.566552 -0.406821
N -6.418727 -0.350412 0.429330
C 4.208235 0.174751 -0.073312
C 1.498075 0.386344 -0.618322
C 3.826053 0.788810 -1.276678
C 3.304203 -0.325966 0.876362
C 2.447242 0.891728 -1.546416
C 1.927186 -0.215763 0.593566
C 0.056507 0.531469 -0.972763
C -2.181153 -0.034020 0.035073
C -3.006655 0.431217 -1.020275
C -2.733503 -0.597539 1.211629
C -4.946971 -0.240637 0.294739
C -4.404178 0.322075 -0.879236
C -4.126303 -0.704098 1.348094
H 4.579761 1.191111 -1.960461
H 3.667450 -0.762650 1.811717
H 2.087997 1.361904 -2.466968
H 1.185331 -0.589379 1.302678
H -2.570371 0.865192 -1.919275
H -2.059999 -0.942877 2.000584
H -5.076968 0.668099 -1.668133
H -4.585164 -1.133387 2.241945
H 7.209586 -1.406094 -1.155648
H 6.862516 -2.174629 0.353304


