%chk=000056270.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056270

0 1
 S    2.097500      -1.008000     -0.3456000    
 O    2.234600      -1.370300      -1.753000    
 O    2.493400      -1.973100      0.6747000    
 O   -4.666000     -0.1471000      -1.282500    
 N    2.914300      0.4714000     -8.9599997E-02
 N   -3.573100      0.3391000      0.7491000    
 C   0.4284000     -0.6111000     -2.3700001E-02
 C  -0.5325000     -0.7740000      -1.021600    
 C   5.5500001E-02 -0.1313000       1.231700    
 C   -2.239100      2.2800000E-02  0.4914000    
 C   -1.866200     -0.4569000     -0.7641000    
 C   -1.278200      0.1857000       1.489400    
 C    2.545100       1.578400     -0.8951000    
 C    4.268700      0.4170000      0.3235000    
 C   -4.668900      0.2416000     -0.1190000    
 C   -5.949200      0.6827000      0.5446000    
 C    3.221800       2.710300     -0.7014000    
 C    4.513700     -0.1771000       1.491200    
 H  -0.2688000      -1.147200      -2.006900    
 H   0.7925000      1.9999999E-04   2.019500    
 H   -2.552200     -0.6092000      -1.585600    
 H   -1.554600      0.5584000       2.472500    
 H   -3.764300      0.6828000       1.688100    
 H    1.730500       1.482700      -1.600000    
 H    5.049100      0.8463000     -0.2929000    
 H   -6.165100      3.4200002E-02   1.398300    
 H   -6.776600      0.6204000     -0.1677000    
 H   -5.853100       1.717200      0.8861000    
 H    2.956600       3.581500      -1.294400    
 H    4.005600       2.868100      2.9899999E-02
 H    5.536700     -0.2469000       1.848100    
 H    3.743900     -0.5514000       2.155400    


%chk=000056270-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056270

0 1
S 2.121096 -1.099687 -0.320165
O 2.218465 -1.588625 -1.884184
O 2.660610 -2.060383 0.891893
O -4.704666 0.302199 -1.343682
N 3.034154 0.860122 0.178596
N -3.716395 0.214897 0.785606
C 0.322020 -0.682892 0.008233
C -0.548167 -0.581853 -1.089781
C -0.100285 -0.500408 1.336569
C -2.365988 -0.088024 0.472868
C -1.906939 -0.283284 -0.860054
C -1.455418 -0.202796 1.563017
C 2.767495 1.724289 -0.899559
C 4.359838 0.631667 0.578422
C -4.802101 0.390837 -0.087704
C -6.118852 0.692913 0.624979
C 3.566783 2.746524 -1.337134
C 4.638389 0.004320 1.762933
H -0.173183 -0.757993 -2.103493
H 0.603697 -0.603233 2.167201
H -2.613173 -0.200952 -1.687427
H -1.809782 -0.059699 2.591426
H -3.924319 0.315761 1.782315
H 1.764734 1.600378 -1.328622
H 5.171339 0.896212 -0.120422
H -6.461316 -0.181394 1.209180
H -6.881245 0.927417 -0.131453
H -6.024373 1.552228 1.314106
H 3.195041 3.434859 -2.100943
H 4.549638 2.960479 -0.905512
H 5.671633 -0.232693 2.034837
H 3.841271 -0.293987 2.448355


