%chk=000216043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216043

0 1
S 4.004400 0.386088 -1.272260
S 4.643466 -1.519040 -0.838482
O 3.172733 -2.302258 -1.051085
O 5.481381 -1.997817 -1.886511
O 4.964437 -1.621254 0.542941
N 0.835860 0.666084 1.254617
C -0.648205 0.618240 1.075263
C -1.243848 1.533483 2.171304
C -1.244071 -0.806778 1.147026
C -2.733928 1.836494 1.970250
C -1.065096 -1.595161 -0.157250
C -3.038377 2.784990 0.799982
C -2.256604 -2.510985 -0.480152
C -3.218363 2.067200 -0.545665
C -3.567637 -1.743987 -0.707725
C -4.494883 1.217846 -0.591799
C -3.491350 -0.763652 -1.886487
C -4.578994 0.319139 -1.834231
C 1.613018 0.210476 0.063602
C 3.009239 0.820591 0.190889
H -0.901724 1.066307 0.072360
H -0.667484 2.481983 2.193571
H -1.094065 1.075640 3.167428
H -2.329826 -0.716143 1.375903
H -0.817474 -1.368587 1.995779
H -3.127799 2.284172 2.904505
H -3.294161 0.886527 1.836193
H -0.140890 -2.202469 -0.106023
H -0.919866 -0.896266 -1.008087
H -2.228348 3.534643 0.705991
H -3.952810 3.365201 1.032127
H -2.400308 -3.240019 0.340559
H -2.015978 -3.112043 -1.378471
H -2.329019 1.424175 -0.736959
H -3.234191 2.811383 -1.363691
H -3.825726 -1.187176 0.219674
H -4.394342 -2.460570 -0.868159
H -5.382913 1.877018 -0.554925
H -4.549174 0.585263 0.320342
H -3.566979 -1.318473 -2.840337
H -2.493550 -0.275921 -1.900758
H -5.578110 -0.157815 -1.866058
H -4.513873 0.940815 -2.748312
H 1.113491 0.121491 2.078241
H 1.116618 0.572501 -0.865108
H 1.669831 -0.901068 -0.023527
H 3.519427 0.509797 1.126165
H 2.955894 1.931138 0.226019
H 3.177668 -3.118702 -1.577971


%chk=000216043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216043

0 1
S 4.128028 0.261341 -1.367022
S 5.796031 -1.240865 -0.237565
O 5.409856 -2.800416 -1.187071
O 7.373621 -0.944973 -0.462875
O 5.258482 -1.434440 1.286349
N 0.774222 0.156371 1.026591
C -0.655463 0.491885 0.873104
C -1.055953 1.481615 2.005701
C -1.581749 -0.762064 0.823083
C -2.510397 2.028188 2.005469
C -1.487998 -1.576393 -0.491582
C -2.930598 2.892613 0.781358
C -2.714610 -2.489190 -0.769030
C -3.421685 2.135098 -0.484387
C -4.085805 -1.758262 -0.817177
C -4.751155 1.364294 -0.293694
C -4.197234 -0.639774 -1.890839
C -5.176964 0.508193 -1.517964
C 1.638133 -0.194092 -0.092319
C 3.035852 0.452235 0.130099
H -0.740851 1.015996 -0.099888
H -0.349150 2.333784 1.963763
H -0.879420 0.977154 2.981113
H -2.619851 -0.409886 0.950741
H -1.361636 -1.407637 1.698068
H -2.605144 2.656787 2.913647
H -3.232063 1.200557 2.148299
H -0.574568 -2.202946 -0.488766
H -1.365819 -0.870603 -1.339276
H -2.078770 3.547789 0.503799
H -3.746179 3.573174 1.102295
H -2.764723 -3.278006 0.009527
H -2.545866 -3.013491 -1.731869
H -2.637669 1.439616 -0.834993
H -3.558432 2.872932 -1.302113
H -4.300696 -1.334938 0.182708
H -4.879245 -2.512068 -0.991830
H -5.556661 2.094310 -0.072005
H -4.684117 0.714424 0.601697
H -4.519811 -1.087264 -2.851869
H -3.199709 -0.204047 -2.087716
H -6.179664 0.076870 -1.318829
H -5.293862 1.175850 -2.396663
H 1.051268 -0.202966 1.945746
H 1.180993 0.202635 -1.017112
H 1.782137 -1.285979 -0.243734
H 3.553000 -0.060218 0.970080
H 2.954652 1.526589 0.374311
H 6.244741 -3.357282 -1.168660


