%chk=000257267.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257267

0 1
S 2.956654 -2.102255 0.802489
O -0.421327 -0.191889 0.559904
O -0.448080 -2.454328 -0.978222
N 0.520023 -1.215922 0.746913
C 1.839865 -0.669146 1.145577
C 2.381996 0.523415 0.411596
C 1.852252 -2.908118 -0.384774
C 0.529471 -2.188171 -0.323658
C -1.580692 -0.406809 1.451143
C 3.526167 1.152863 0.933703
C 1.797464 1.015361 -0.762825
C -2.760639 0.041017 0.636431
C 4.081142 2.252596 0.277428
C 2.356514 2.119837 -1.414086
C 3.498582 2.737889 -0.899067
C -3.625141 1.028019 1.130821
C -3.002623 -0.541417 -0.616442
C -4.735875 1.418655 0.377251
C -4.110481 -0.141848 -1.367095
C -4.979752 0.835388 -0.870379
H 1.811700 -0.485634 2.252651
H 1.735260 -3.983286 -0.135322
H 2.275644 -2.868570 -1.409982
H -1.388148 0.212734 2.342860
H -1.663722 -1.468262 1.746825
H 3.989163 0.783640 1.847679
H 0.892340 0.557563 -1.167645
H 4.969800 2.734113 0.682734
H 1.894605 2.498407 -2.325215
H 3.933209 3.595757 -1.408915
H -3.436347 1.491928 2.096581
H -2.310589 -1.300634 -1.000400
H -5.410184 2.181317 0.762142
H -4.296262 -0.593643 -2.340175
H -5.844290 1.143032 -1.455226


%chk=000257267-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257267

0 1
S 3.066373 -2.171462 0.928564
O -0.441998 -0.228946 0.243597
O -0.420350 -2.752539 -0.968016
N 0.654647 -1.153012 0.372034
C 1.871515 -0.634178 0.996856
C 2.460832 0.590314 0.328685
C 1.910982 -3.117623 -0.234286
C 0.595423 -2.346430 -0.337839
C -1.587574 -0.627235 1.167579
C 3.211015 1.501975 1.111412
C 2.297751 0.834169 -1.057345
C -2.836881 -0.038443 0.567325
C 3.808991 2.634051 0.515408
C 2.889900 1.968062 -1.651756
C 3.650928 2.869085 -0.869710
C -3.522922 1.024985 1.202260
C -3.330779 -0.559263 -0.657852
C -4.699542 1.558951 0.628526
C -4.501844 -0.022159 -1.232572
C -5.190284 1.035368 -0.589440
H 1.704878 -0.454039 2.073078
H 1.720241 -4.119021 0.180800
H 2.362616 -3.211175 -1.234720
H -1.373710 -0.229551 2.176902
H -1.621915 -1.729769 1.184280
H 3.330843 1.325321 2.188150
H 1.693662 0.150132 -1.663643
H 4.389520 3.332176 1.128542
H 2.752973 2.155195 -2.722545
H 4.109264 3.749085 -1.334433
H -3.136903 1.436846 2.142941
H -2.780173 -1.370642 -1.148403
H -5.228158 2.379705 1.125897
H -4.880147 -0.425375 -2.178559
H -6.101476 1.449043 -1.036416


