%chk=000145289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145289

0 1
 S    2.054300      -1.545400      0.1874000    
 O    4.454600      -2.091900     -0.8101000    
 O    3.819700       2.273100      0.6953000    
 N   -4.418500     -2.8999999E-02 -8.9299999E-02
 N    1.882300       1.155400      0.1956000    
 C   -3.009600     -1.7300000E-02 -2.4300000E-02
 C  -0.2228000      5.2000000E-03  0.1043000    
 C   -2.293200       1.030400     -0.6030000    
 C   -2.332500      -1.053800      0.6184000    
 C  -0.8998000       1.041500     -0.5387000    
 C  -0.9392000      -1.042500      0.6828000    
 C    1.261300      1.8200001E-02  0.1737000    
 C   -5.106700      0.5825000      -1.208700    
 C   -5.196000     -0.6649000      0.9557000    
 C    3.629000      -1.095600     -0.3347000    
 C    3.248700       1.271200      0.2717000    
 C    4.068300      0.1628000     -0.2758000    
 H   -2.789900       1.857800      -1.101800    
 H   -2.859800      -1.887100       1.074200    
 H  -0.3622000       1.865600      -1.000400    
 H  -0.4589000      -1.855900       1.217900    
 H   -5.156000       1.669600      -1.087000    
 H   -6.135300      0.2137000      -1.289800    
 H   -4.613100      0.3493000      -2.159000    
 H   -6.233200     -0.3116000      0.9467000    
 H   -4.795200     -0.4367000       1.949800    
 H   -5.217200      -1.751000      0.8175000    
 H    5.078300      0.4139000     -0.5850000    
 H    3.936100      -2.913500     -0.7545000    


%chk=000145289-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145289

0 1
S 2.083448 -1.605448 0.474589
O 4.769495 -2.025947 0.593979
O 3.771562 2.292158 -1.182510
N -4.502716 0.001402 -0.023544
N 1.900856 1.028199 -0.608143
C -3.112678 -0.011070 -0.052481
C -0.233016 -0.037994 -0.112896
C -2.367615 1.115168 -0.543055
C -2.368230 -1.149310 0.406705
C -0.970919 1.096286 -0.569895
C -0.968328 -1.154435 0.373900
C 1.229540 0.014639 -0.171878
C -5.242553 1.179399 -0.504528
C -5.243242 -1.161666 0.489516
C 3.808626 -1.090446 0.226431
C 3.317767 1.205830 -0.717601
C 4.201777 0.116418 -0.282628
H -2.887904 2.006606 -0.902782
H -2.888542 -2.030877 0.789559
H -0.408401 1.957095 -0.944570
H -0.445020 -2.046764 0.736133
H -4.993970 2.085847 0.082059
H -6.323599 0.997165 -0.406178
H -5.027067 1.388861 -1.570857
H -6.324009 -0.961158 0.433047
H -4.990331 -1.372577 1.547638
H -5.033927 -2.073953 -0.103730
H 5.274138 0.308273 -0.383439
H 4.368357 -2.857702 0.956058


