%chk=000154173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154173

0 1
 S    6.082700     -0.2778000      2.6000000E-03
 O    6.141000      -1.068500       1.220600    
 O    6.158600     -0.9193000      -1.299100    
 O   -6.835700      -1.462800      3.8500000E-02
 N   -7.967700      0.5373000      1.9000000E-03
 C   0.8445000     -0.1804000     -5.8600001E-02
 C  -0.4598000      0.6180000      3.1900000E-02
 C    2.099600      0.6921000      7.8999996E-03
 C   -1.751500     -0.2044000     -5.5999998E-03
 C    3.368800     -0.1585000     -5.4200001E-02
 C   -3.020200      0.6506000      2.5100000E-02
 C    4.617200      0.7040000      5.0500002E-02
 C   -4.277300     -0.2245000     -2.3700001E-02
 C   -5.561800      0.6028000     -2.2399999E-02
 C    7.388000      0.9273000      8.3099999E-02
 C   -6.826300     -0.2359000      1.3000000E-03
 H   0.8482000     -0.7522000     -0.9948000    
 H   0.8674000     -0.9119000      0.7586000    
 H  -0.4811000       1.341700     -0.7930000    
 H  -0.4485000       1.206900      0.9579000    
 H    2.092900       1.409100     -0.8217000    
 H    2.090600       1.272800      0.9382000    
 H   -1.756800     -0.8969000      0.8451000    
 H   -1.752700     -0.8196000     -0.9139000    
 H    3.384400     -0.7274000     -0.9919000    
 H    3.357900     -0.8946000      0.7590000    
 H   -3.030600       1.261000      0.9359000    
 H   -3.019000       1.339700     -0.8279000    
 H    4.627300       1.263000      0.9916000    
 H    4.668100       1.411400     -0.7832000    
 H   -4.254300     -0.8556000     -0.9209000    
 H   -4.280000     -0.9054000      0.8368000    
 H   -5.591600       1.240700     -0.9139000    
 H   -5.577500       1.258700      0.8567000    
 H    8.342300      0.3972000      6.0100000E-02
 H    7.307600       1.591600     -0.7792000    
 H    7.292900       1.487400       1.015000    
 H   -8.887500      0.1098000      2.3600001E-02
 H   -7.936100       1.551500     -2.2000000E-02


%chk=000154173-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154173

0 1
S 6.193292 -0.342748 -0.026139
O 6.220419 -1.245175 1.339502
O 6.201486 -1.042088 -1.506479
O -6.891164 -1.537785 -0.042293
N -8.106369 0.433817 -0.029160
C 0.805331 -0.115289 -0.010998
C -0.500452 0.710202 0.021838
C 2.076964 0.762760 0.038796
C -1.773004 -0.165517 -0.019079
C 3.373030 -0.086402 -0.005878
C -3.081140 0.656739 0.013968
C 4.617497 0.797674 0.064145
C -4.346572 -0.227669 -0.027205
C -5.644749 0.600547 0.009368
C 7.687606 0.863576 0.050900
C -6.909803 -0.273006 -0.023648
H 0.824599 -0.736880 -0.929681
H 0.815004 -0.822028 0.844035
H -0.512115 1.413776 -0.837082
H -0.516346 1.336732 0.938490
H 2.066234 1.472797 -0.813729
H 2.062541 1.375849 0.963571
H -1.762128 -0.869417 0.838742
H -1.758327 -0.792621 -0.934549
H 3.397226 -0.680867 -0.939519
H 3.381454 -0.799612 0.840631
H -3.093970 1.283498 0.931004
H -3.090125 1.361010 -0.844966
H 4.727023 1.332334 1.022585
H 4.726343 1.475688 -0.799023
H -4.340691 -0.854434 -0.938958
H -4.343387 -0.934056 0.824079
H -5.671325 1.303629 -0.848693
H -5.668500 1.226231 0.925702
H 8.569787 0.210218 0.002925
H 7.619447 1.525680 -0.823419
H 7.626111 1.399523 1.008261
H -8.981513 -0.089555 -0.046729
H -8.135717 1.451768 -0.015418


