%chk=000211730.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211730

0 1
S 1.519644 -1.491341 -0.490536
O 2.330875 -0.260673 0.317279
O 1.631538 -2.677936 0.325619
O 2.059901 -1.497277 -1.831782
O -4.800862 -0.050083 1.557723
N -3.966790 0.755295 -0.439471
C 3.780909 -0.335553 0.416603
C 4.197823 1.102443 0.752178
C 4.267523 1.985680 -0.499710
C 4.141367 -1.327515 1.513747
C -0.067498 -0.855902 -0.459465
C 4.659354 3.420688 -0.156812
C -0.919629 -1.134820 0.618122
C -0.519956 -0.051213 -1.514122
C -2.661739 0.191986 -0.406610
C -2.211296 -0.618454 0.653369
C -1.807078 0.474617 -1.500299
C -4.977963 0.602248 0.554020
C -6.251663 1.323015 0.222088
H 4.175194 -0.660908 -0.574418
H 5.172153 1.100081 1.275504
H 3.465462 1.526483 1.470966
H 3.283266 1.973884 -1.011068
H 4.990471 1.562337 -1.224439
H 3.758531 -1.008008 2.490776
H 3.699290 -2.321234 1.326414
H 5.223842 -1.461281 1.600989
H 4.704582 4.043284 -1.057424
H 5.642591 3.467965 0.324590
H 3.937352 3.883257 0.525933
H -0.571605 -1.772134 1.441306
H 0.142726 0.161097 -2.362799
H -2.870496 -0.842629 1.500809
H -2.143890 1.095440 -2.326390
H -4.185259 1.323426 -1.262914
H -6.114637 2.409659 0.133902
H -6.991605 1.162682 1.027006
H -6.715225 0.961794 -0.706382


%chk=000211730-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211730

0 1
S 1.555255 -1.773658 -0.242507
O 2.447104 -0.380169 0.627192
O 1.504678 -3.087215 0.705316
O 2.163234 -1.871540 -1.746999
O -5.009814 0.079622 1.463769
N -3.919920 0.829838 -0.477539
C 3.929474 -0.386112 0.404084
C 4.351730 1.073471 0.671337
C 3.802071 2.086444 -0.356288
C 4.606170 -1.410054 1.325995
C -0.127467 -0.971898 -0.285696
C 4.262819 3.530089 -0.063402
C -1.029270 -1.245155 0.754325
C -0.434133 -0.135039 -1.372054
C -2.653730 0.200866 -0.368626
C -2.308514 -0.655207 0.715461
C -1.711880 0.449070 -1.408851
C -5.016000 0.757749 0.399005
C -6.218997 1.579358 -0.059275
H 4.109270 -0.636860 -0.662865
H 5.461261 1.099902 0.669959
H 4.026796 1.354563 1.692744
H 2.697222 2.033805 -0.352257
H 4.130482 1.789500 -1.373259
H 4.418555 -1.161307 2.385542
H 4.222514 -2.428397 1.139247
H 5.698435 -1.415638 1.152865
H 3.857600 4.240561 -0.807100
H 5.366364 3.610851 -0.086660
H 3.924110 3.859538 0.937120
H -0.745571 -1.917282 1.570209
H 0.295345 0.034397 -2.169786
H -3.038693 -0.843037 1.503692
H -1.980398 1.102207 -2.248194
H -4.050334 1.415036 -1.306738
H -5.964002 2.651787 -0.147531
H -7.022071 1.467893 0.682700
H -6.592490 1.232419 -1.040632


