%chk=000079724.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079724

0 1
 S   -5.893100      -1.261200      0.1188000    
 S    5.893400      -1.260900     -0.1188000    
 O   -7.350900     -0.8389000     -0.4786000    
 O    7.350400     -0.8398000      0.4817000    
 O   -5.954100      -1.222700       1.568800    
 O   -5.422500      -2.438000     -0.5896000    
 O    5.956500      -1.218900      -1.568500    
 O    5.422000      -2.439300      0.5862000    
 N   -1.439900       1.364500      0.1271000    
 N    1.440000       1.364600     -0.1274000    
 C  -0.7115000      0.1591000     -0.2872000    
 C  -0.7112000       2.570300     -0.2853000    
 C   0.7110000      0.1582000      0.2830000    
 C   0.7109000       2.569900      0.2861000    
 C   -2.795600       1.365100     -0.4189000    
 C    2.795000       1.364000      0.4205000    
 C   -3.575000      0.1576000      9.6000001E-02
 C    3.575200      0.1578000     -9.6000001E-02
 C   -4.993600      0.1448000     -0.4541000    
 C    4.993000      0.1438000      0.4561000    
 H   -1.173500     -0.7516000      0.1034000    
 H  -0.6753000      7.4900001E-02  -1.381800    
 H   -1.230200       3.462700      8.5100003E-02
 H  -0.6689000       2.647600      -1.380400    
 H    1.173200     -0.7512000     -0.1104000    
 H   0.6747000      7.0699997E-02   1.377300    
 H   0.6684000       2.645900       1.381200    
 H    1.230000       3.462700     -8.3200000E-02
 H   -2.781200       1.363800      -1.516700    
 H   -3.317700       2.276700     -0.1020000    
 H    2.779000       1.360300       1.518300    
 H    3.317600       2.276400      0.1064000    
 H   -3.119200     -0.7874000     -0.2129000    
 H   -3.595800      0.1628000       1.192900    
 H    3.118800     -0.7880000      0.2101000    
 H    3.597600      0.1654000      -1.192900    
 H   -5.534500       1.037100     -0.1220000    
 H   -4.994700      0.1154000      -1.548400    
 H    5.534300       1.037000      0.1268000    
 H    4.992500      0.1118000       1.550300    
 H   -7.796100     -8.7899998E-02 -2.0199999E-02
 H    7.796200     -8.7600000E-02  2.5599999E-02


%chk=000079724-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079724

0 1
S -6.305587 -0.956218 0.384456
S 6.305261 -0.955949 -0.386248
O -7.726114 -0.559110 -0.760885
O 7.726657 -0.558603 0.757939
O -6.721965 -0.605056 1.907832
O -5.711786 -2.421857 0.042442
O 6.720098 -0.603984 -1.909859
O 5.712464 -2.421996 -0.044265
N -1.454117 1.245256 0.006184
N 1.453888 1.245130 -0.004472
C -0.684197 0.026640 -0.351414
C -0.680207 2.460917 -0.355334
C 0.683866 0.025904 0.350869
C 0.680090 2.460205 0.359246
C -2.819320 1.267765 -0.563768
C 2.819057 1.266517 0.565625
C -3.751028 0.237865 0.127016
C 3.750523 0.237271 -0.126454
C -5.183814 0.415363 -0.371202
C 5.183581 0.414791 0.370973
H -1.243711 -0.869852 -0.031571
H -0.523744 -0.039632 -1.457207
H -1.254993 3.353171 -0.044176
H -0.504778 2.524827 -1.458706
H 1.243330 -0.870002 0.029297
H 0.523440 -0.042436 1.456541
H 0.504669 2.522150 1.462728
H 1.254955 3.352959 0.049670
H -2.818110 1.084296 -1.669991
H -3.228281 2.284688 -0.404833
H 2.817707 1.081556 1.671596
H 3.228285 2.283551 0.408069
H -3.413514 -0.791984 -0.090504
H -3.691138 0.392492 1.219329
H 3.413344 -0.792804 0.090521
H 3.689932 0.392720 -1.218615
H -5.678770 1.342439 -0.042141
H -5.309857 0.258053 -1.454342
H 5.678035 1.342226 0.042170
H 5.310380 0.256867 1.453937
H -8.502084 -1.134904 -0.503991
H 8.502753 -1.133732 0.499938


