%chk=000085321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085321

0 1
 S    1.781600     -0.2730000      0.3256000    
 O    2.121200      -1.677100      0.1501000    
 O    2.161400      0.4201000       1.547800    
 N    2.323800      0.6118000      -1.048100    
 N    3.704200      0.5962000      -1.001400    
 C   4.4599999E-02 -0.1013000      0.1460000    
 C  -0.5349000       1.167600      0.1473000    
 C  -0.7569000      -1.233900      2.4000001E-03
 C   -2.717200      0.1715000     -0.1386000    
 C   -1.915800       1.304000      4.9999999E-03
 C   -2.137900      -1.097400     -0.1400000    
 C   0.2914000       2.403300      0.2993000    
 C  -0.1720000      -2.608800     -4.1999999E-03
 C   -4.193600      0.3171000     -0.2911000    
 H   -2.373600       2.290400      2.3000001E-03
 H   -2.768900      -1.975600     -0.2552000    
 H  -0.3528000       3.288800      0.3733000    
 H   0.8767000       2.403100       1.220900    
 H   0.9289000       2.579600     -0.5694000    
 H   0.4395000      -2.789400     -0.8935000    
 H   0.3334000      -2.846600      0.9370000    
 H  -0.9747000      -3.356000     -7.0900001E-02
 H   -4.721700     -0.5434000      0.1336000    
 H   -4.559500       1.206900      0.2325000    
 H   -4.455200      0.4014000      -1.350600    
 H    1.997700      0.2808000      -1.966100    
 H    4.020600       1.224100      -1.739200    
 H    3.997400     -0.3386000      -1.284700    


%chk=000085321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085321

0 1
S 1.570169 1.060109 -0.843130
O 2.115605 -0.084655 -1.946465
O 2.382556 0.648111 0.723721
N 4.206943 -1.570306 -1.080781
N 4.176211 -1.128061 0.121254
C -0.205854 0.579063 -0.411878
C -1.140745 1.647520 -0.436898
C -0.569912 -0.757224 -0.096782
C -2.908406 0.025993 0.169453
C -2.491218 1.342118 -0.140005
C -1.934112 -1.002261 0.190518
C -0.748778 3.082878 -0.759228
C 0.429039 -1.895925 -0.046947
C -4.366812 -0.283042 0.454298
H -3.228397 2.154458 -0.150953
H -2.238555 -2.026613 0.439499
H -1.631332 3.741367 -0.702762
H 0.006208 3.473602 -0.052396
H -0.324627 3.178990 -1.775743
H 0.931569 -2.017486 -1.021773
H 1.213516 -1.688704 0.703243
H -0.072221 -2.840675 0.220852
H -4.471650 -1.044132 1.247782
H -4.919633 0.618985 0.768427
H -4.869298 -0.681524 -0.448463
H 3.388848 -1.069972 -1.606207
H 4.933511 -1.542013 0.712776
H 3.155076 -0.095001 0.538689


