%chk=000094958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094958

0 1
 S   0.4992000       1.324000      0.3828000    
 O    1.367500       2.486200      0.4101000    
 O   0.3094000      0.5179000       1.572300    
 N   -1.014700       1.791200     -0.2923000    
 C    1.103300      0.2589000     -0.9077000    
 C    2.445300     -0.2541000     -0.4848000    
 C   -2.105600      0.8749000     -0.2011000    
 C    2.535100      -1.436900      0.2433000    
 C    3.594500      0.4548000     -0.8229000    
 C   -2.570500      0.2287000      -1.346800    
 C   -2.707000      0.6256000       1.032600    
 C   -4.238000     -0.9154000     -2.5200000E-02
 C   -3.636700     -0.6662000      -1.258700    
 C   -3.773200     -0.2696000       1.120500    
 C    3.784900      -1.914900      0.6371000    
 C    4.844200     -2.3399999E-02 -0.4291000    
 C    4.939400      -1.208300      0.3008000    
 C   -5.377100      -1.873400      6.9200002E-02
 H   0.3976000     -0.5650000      -1.048500    
 H    1.166600      0.8342000      -1.836600    
 H  -0.9568000       2.282000      -1.194800    
 H    1.643100      -1.996900      0.5107000    
 H    3.533500       1.378400      -1.392200    
 H   -2.108400      0.4138000      -2.313000    
 H   -2.364400       1.130300       1.932100    
 H   -3.988200      -1.165000      -2.158100    
 H   -4.233900     -0.4548000       2.087200    
 H    3.859100      -2.837500       1.205400    
 H    5.743400      0.5266000     -0.6910000    
 H    5.912600      -1.580500      0.6073000    
 H   -6.063100      -1.593200      0.8759000    
 H   -5.961000      -1.885800     -0.8574000    
 H   -5.003200      -2.883800      0.2617000    


%chk=000094958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094958

0 1
S 0.559065 1.758393 0.245467
O 1.365373 3.076250 -0.259269
O 0.605361 1.278402 1.792422
N -1.303853 2.161515 -0.153297
C 1.111793 0.150773 -0.939382
C 2.410413 -0.373851 -0.471984
C -2.217141 1.074259 -0.171168
C 2.461124 -1.371534 0.541884
C 3.626892 0.128669 -1.014878
C -2.961433 0.741169 -1.338232
C -2.435185 0.330426 1.025154
C -4.149844 -1.037894 -0.112362
C -3.929671 -0.283886 -1.293679
C -3.376730 -0.714416 1.037731
C 3.701849 -1.870016 0.986741
C 4.865769 -0.371804 -0.567040
C 4.906289 -1.373786 0.432377
C -5.186317 -2.145801 -0.065506
H 0.242514 -0.506706 -0.792488
H 1.115527 0.650080 -1.919298
H -1.261488 2.721537 -1.023286
H 1.528326 -1.740838 0.982710
H 3.593883 0.914574 -1.778227
H -2.795311 1.299589 -2.268674
H -1.868309 0.595286 1.922978
H -4.513785 -0.510184 -2.193645
H -3.533176 -1.279638 1.964797
H 3.734362 -2.637245 1.767603
H 5.797735 0.019053 -0.989135
H 5.870155 -1.760744 0.781149
H -6.005671 -1.897793 0.636044
H -5.637527 -2.322185 -1.056859
H -4.744086 -3.098854 0.280152


