%chk=000298551.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298551

0 1
S -4.680548 -1.820390 0.000312
O 1.722279 0.140223 0.000130
N -0.732810 -1.097358 -0.000300
N -1.963420 -1.695346 0.000053
N -3.246242 0.409983 -0.000435
C 3.858029 -0.763129 -0.000273
C 3.086483 0.429364 0.000075
C 2.904693 -1.855543 -0.000469
C 5.838410 0.610400 -0.000086
C 5.031762 1.793946 0.000244
C 5.255899 -0.655092 -0.000343
C 3.640262 1.711080 0.000331
C 1.651411 -1.277871 -0.000188
C 3.230389 -3.295561 -0.000638
C 7.330099 0.728967 -0.000155
C 5.679973 3.140840 0.000510
C 0.326089 -1.866915 -0.000130
C -5.545214 -0.301424 -0.000038
C -4.617827 0.779658 -0.000421
C -3.101272 -0.892471 -0.000088
C -6.916304 -0.083336 0.000024
C -5.084674 2.101950 -0.000751
C -7.369078 1.239495 -0.000307
C -6.463088 2.314347 -0.000689
H 5.867245 -1.554443 -0.000571
H 3.002512 2.590600 0.000581
H 2.820903 -3.804098 -0.886121
H 4.317265 -3.466344 -0.007881
H 2.833180 -3.801088 0.892201
H 7.686890 1.272495 -0.886488
H 7.686999 1.272238 0.886292
H 7.830750 -0.247684 -0.000325
H 6.316642 3.277422 -0.885595
H 4.950166 3.961663 0.000619
H 6.316555 3.277102 0.886728
H 0.336055 -2.970105 0.000320
H -2.086302 -2.715416 0.000405
H -7.620713 -0.913275 0.000321
H -4.374684 2.928973 -0.001047
H -8.439040 1.441954 -0.000268
H -6.847720 3.334891 -0.000942


%chk=000298551-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298551

0 1
S -4.738634 -1.963975 -0.001039
O 1.793840 0.331396 -0.000215
N -0.783683 -0.879494 -0.000329
N -1.985751 -1.561491 -0.000646
N -3.397960 0.409561 -0.000084
C 3.878913 -0.694015 -0.000103
C 3.183949 0.548385 -0.000113
C 2.871058 -1.737808 -0.000258
C 5.978262 0.566272 0.000012
C 5.238935 1.806028 -0.000007
C 5.297561 -0.670170 -0.000023
C 3.823305 1.793042 -0.000071
C 1.631670 -1.083311 -0.000283
C 3.115019 -3.225724 0.000190
C 7.497450 0.592025 0.000089
C 5.976122 3.133035 0.000052
C 0.304548 -1.635934 -0.000476
C -5.671199 -0.401203 -0.000592
C -4.771669 0.718999 -0.000115
C -3.193109 -0.884125 -0.000515
C -7.066684 -0.231354 -0.000674
C -5.302774 2.030337 0.000282
C -7.577250 1.088912 -0.000271
C -6.701849 2.206135 0.000201
H 5.872855 -1.603159 0.000076
H 3.247529 2.722977 -0.000101
H 2.674364 -3.718158 -0.887042
H 4.196493 -3.440858 -0.009196
H 2.690581 -3.714793 0.897203
H 7.897930 1.118476 -0.887758
H 7.897845 1.118570 0.887918
H 7.913090 -0.429763 0.000163
H 6.629773 3.235968 -0.887645
H 5.271838 3.981539 -0.000048
H 6.629559 3.236003 0.887903
H 0.263525 -2.743516 -0.000682
H -2.013208 -2.592351 -0.000992
H -7.746498 -1.088789 -0.001038
H -4.613875 2.879906 0.000643
H -8.661390 1.244084 -0.000328
H -7.118478 3.219042 0.000507


