%chk=000072847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072847

0 1
 S   -4.958600      0.4443000      5.4900002E-02
 O   -5.366500      0.2911000      -1.520900    
 O   -4.865700     -0.9015000      0.6020000    
 O   -5.843300       1.430000      0.6564000    
 N    1.425400      0.5184000      3.3000000E-03
 N  -3.2200001E-02  -2.047000       1.204400    
 N    2.512900     -0.2757000     -1.4400000E-02
 N    4.880100     -0.5406000      3.8500000E-02
 C  -0.9556000      0.8565000      2.4800001E-02
 C   -3.355400       1.135900      4.8500001E-02
 C   -2.236200      0.3034000      2.9999999E-02
 C   0.2115000     -1.0800000E-02  5.7000001E-03
 C  -0.7943000       2.242100      3.7999999E-02
 C   -3.193800       2.521300      6.1900001E-02
 C   2.3800001E-02  -1.503500     -8.5000005E-03
 C   -1.913300       3.074300      5.6499999E-02
 C  -6.7000002E-02  -2.131900      -1.211500    
 C  -0.2394000      -3.511000      -1.167900    
 C    3.801300      0.2826000     -1.7000001E-02
 C  -0.2003000      -3.388500       1.207100    
 C  -0.3084000      -4.158800      6.0500000E-02
 C    3.905600       1.668800     -7.7799998E-02
 C    5.175000       2.236400     -8.1699997E-02
 C    6.297000       1.417200     -2.5699999E-02
 C    6.097500      4.7200002E-02  3.2600001E-02
 H   -2.390400     -0.7705000      1.4300000E-02
 H   0.1884000       2.705600      3.3900000E-02
 H   -4.049900       3.189900      6.8499997E-02
 H   -1.787800       4.153100      6.4999998E-02
 H  -9.8999999E-03  -1.607900      -2.157700    
 H    2.446900      -1.284800      2.8200001E-02
 H  -0.3198000      -4.079700      -2.089400    
 H  -0.2480000      -3.845800       2.189900    
 H  -0.4426000      -5.232800      0.1185000    
 H   -4.789000     -0.3075000      -2.050600    
 H    3.046200       2.329500     -0.1247000    
 H    5.290200       3.315100     -0.1290000    
 H    7.296100       1.837600     -2.7899999E-02
 H    6.939700     -0.6353000      7.7699997E-02


%chk=000072847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072847

0 1
S -4.856438 0.932708 0.713129
O -5.476666 -0.025170 -0.761927
O -4.685773 -0.101725 1.945244
O -5.762611 2.262914 0.878670
N 1.439064 0.460783 -0.034656
N 1.209419 -2.434332 0.012943
N 2.577894 -0.238032 0.184243
N 4.855796 -0.399049 0.598150
C -0.883666 0.730025 -0.425108
C -3.190694 1.354642 -0.035762
C -2.155984 0.425734 0.132568
C 0.281682 -0.187590 -0.262191
C -0.725795 1.974304 -1.099693
C -3.069491 2.582288 -0.702556
C 0.127570 -1.658209 -0.375401
C -1.792681 2.886656 -1.230980
C -1.035172 -2.277578 -0.926541
C -1.095366 -3.679520 -1.028635
C 3.791428 0.435331 0.396160
C 1.136225 -3.788151 -0.092418
C 0.001821 -4.460730 -0.592252
C 3.891306 1.853775 0.402286
C 5.159996 2.419453 0.626877
C 6.279230 1.574300 0.836442
C 6.071616 0.176556 0.813589
H -2.322470 -0.482126 0.720912
H 0.258237 2.213303 -1.513517
H -3.919368 3.265235 -0.791899
H -1.639232 3.833754 -1.757895
H -1.865062 -1.667369 -1.289746
H 2.500568 -1.291752 0.234866
H -1.985222 -4.158012 -1.450442
H 2.024805 -4.340459 0.231325
H -0.012813 -5.552627 -0.651038
H -6.417225 -0.304386 -0.560815
H 2.997116 2.460334 0.244261
H 5.277347 3.508387 0.641476
H 7.278186 1.982998 1.013720
H 6.902623 -0.519963 0.973010


