%chk=000212628.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212628

0 1
S 0.300045 -0.310881 -1.964136
O -0.169893 0.408818 0.521437
O -3.658245 -0.210916 0.558556
O -4.173159 -0.263240 -1.683936
N -5.699208 0.486947 -0.093576
C 0.845118 -0.317011 -0.192028
C -1.442099 0.521195 -0.148892
C 0.914189 -1.758543 0.303044
C -1.224135 0.621094 -1.650817
C 2.130302 0.459882 -0.087835
C 1.236407 -1.815660 1.804241
C -2.308766 -0.679122 0.275360
C 3.281695 -0.004248 -0.743584
C 2.185263 1.646472 0.657206
C 1.210174 -3.246052 2.332609
C 4.474829 0.716443 -0.651148
C 3.382001 2.362466 0.747480
C 4.527838 1.899194 0.094274
C -4.492850 -0.032348 -0.536093
H -1.850514 1.463016 0.294177
H 1.677791 -2.323768 -0.269143
H -0.043075 -2.280662 0.105727
H -2.065940 0.186048 -2.237008
H -1.103741 1.666445 -1.989638
H 0.510209 -1.186676 2.359604
H 2.230054 -1.360084 1.991056
H -1.997868 -1.069494 1.265434
H -2.346325 -1.491203 -0.471229
H 3.250535 -0.920147 -1.332409
H 1.286214 2.005173 1.163405
H 0.225962 -3.710304 2.205000
H 1.941304 -3.881331 1.819233
H 1.448679 -3.274314 3.402402
H 5.365182 0.356656 -1.163827
H 3.419355 3.283249 1.326726
H 5.459046 2.457995 0.163402
H -5.906467 0.537034 0.892362
H -6.482706 0.509675 -0.730537


%chk=000212628-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212628

0 1
S -0.052515 -1.187131 -1.700682
O -0.391187 -0.384374 0.857749
O -3.919713 0.497435 0.250634
O -4.265624 -0.209485 -1.981752
N -5.708876 1.290493 -0.897707
C 0.734507 -0.850162 0.039592
C -1.439420 0.343496 0.086010
C 1.232205 -2.180054 0.640567
C -1.058880 0.380176 -1.411558
C 1.824675 0.220623 -0.073464
C 1.750810 -2.048784 2.092144
C -2.749812 -0.408020 0.387641
C 2.888896 0.063310 -0.998523
C 1.820737 1.351092 0.780755
C 2.206624 -3.410651 2.657829
C 3.924571 1.018289 -1.071398
C 2.854924 2.313169 0.702722
C 3.910395 2.150773 -0.221803
C -4.610044 0.465743 -0.978968
H -1.508368 1.370696 0.493818
H 2.039461 -2.576888 -0.005991
H 0.392333 -2.899012 0.605437
H -1.949777 0.335980 -2.056939
H -0.432998 1.251953 -1.656662
H 0.945453 -1.626657 2.721863
H 2.592253 -1.330251 2.123739
H -2.756722 -0.715553 1.444322
H -2.863331 -1.283198 -0.276011
H 2.886830 -0.794230 -1.681234
H 1.012287 1.459891 1.511063
H 1.373860 -4.139135 2.664355
H 3.025226 -3.841672 2.050543
H 2.574428 -3.309424 3.695292
H 4.737091 0.886619 -1.794993
H 2.836691 3.185186 1.366585
H 4.711578 2.895930 -0.282872
H -5.922308 1.781801 -0.033139
H -6.309059 1.383822 -1.712064


