%chk=000082645.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082645

0 1
 S   -3.583500     -0.9791000     -6.0000003E-04
 S    3.583300     -0.9789000      7.9999998E-04
 N   -6.099700      -1.758400      1.8000000E-03
 N    6.099400      -1.758700     -1.6000000E-03
 N   -5.747200      0.5770000     -6.0000003E-04
 N    5.747300      0.5768000      5.0000002E-04
 C   -1.394800      0.7003000     -1.9999999E-04
 C    1.394900      0.7010000      9.9999997E-05
 C  -0.6973000      0.7004000      -1.208100    
 C   0.6976000      0.7006000      -1.207900    
 C  -0.6975000      0.7007000       1.207900    
 C   0.6974000      0.7010000       1.208000    
 C   -2.885900      0.7007000     -3.9999999E-04
 C    2.886100      0.7010000      1.9999999E-04
 C   -5.311400     -0.6421000     -6.9999998E-04
 C    5.311300     -0.6423000      6.9999998E-04
 H   -1.228100      0.6990000      -2.156400    
 H    1.228700      0.6993000      -2.156100    
 H   -1.228700      0.6995000       2.156100    
 H    1.228300      0.7000000       2.156400    
 H   -3.254200       1.243200      0.8785000    
 H   -3.254000       1.243500     -0.8791000    
 H    3.254400       1.243400     -0.8787000    
 H    3.254300       1.243900      0.8789000    
 H   -7.111700      -1.691400      3.7000000E-03
 H   -5.694800      -2.688300      3.3000000E-03
 H    7.111300      -1.691800     -3.5999999E-03
 H    5.694400      -2.688500     -3.0000000E-03
 H   -6.773000      0.5616000      6.0000003E-04
 H    6.773000      0.5612000     -6.0000003E-04


%chk=000082645-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082645

0 1
S -3.590292 -1.033194 0.001489
S 3.590265 -1.033314 -0.001080
N -6.150626 -1.860011 0.000640
N 6.150581 -1.860184 -0.000514
N -5.824901 0.558390 0.000157
N 5.824907 0.558223 -0.000635
C -1.431391 0.751887 0.000704
C 1.431399 0.751821 -0.000643
C -0.705650 0.748960 -1.218918
C 0.704508 0.748928 -1.219580
C -0.704500 0.749317 1.219640
C 0.705660 0.749282 1.218979
C -2.940017 0.767076 0.001411
C 2.940026 0.766968 -0.001354
C -5.408712 -0.679053 0.000897
C 5.408693 -0.679209 -0.000932
H -1.253194 0.749351 -2.168902
H 1.251154 0.749297 -2.170082
H -1.251142 0.750004 2.170144
H 1.253202 0.749915 2.168963
H -3.372288 1.242321 0.894312
H -3.373158 1.242478 -0.890986
H 3.372309 1.242023 -0.894350
H 3.373173 1.242543 0.890947
H -7.168041 -1.822627 0.000030
H -5.697211 -2.772023 0.001165
H 7.167997 -1.822826 -0.000152
H 5.697145 -2.772186 -0.000713
H -6.856588 0.675313 -0.000501
H 6.856596 0.675130 -0.000235


