%chk=000104072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104072

0 1
 S   -2.713800     -0.6579000     -0.1579000    
 O   -2.469300      -1.998800      0.7363000    
 O   -3.751500      0.1172000      0.4937000    
 O   -2.820800      -1.044000      -1.550700    
 N   -2.535800       2.313200     -2.4100000E-02
 N    4.302200      0.8256000     -0.9318000    
 C   3.5799999E-02 -0.3931000      5.0299998E-02
 C    1.213400      0.3828000      0.1664000    
 C   -1.209300      0.2534000     -1.2800000E-02
 C    2.458500     -0.2638000      0.2295000    
 C   -1.292000       1.645300      3.7799999E-02
 C    1.111500       1.782700      0.2159000    
 C   0.1378000      -1.793000      5.0000002E-04
 C  -0.1337000       2.408400      0.1519000    
 C    2.541200      -1.655600      0.1786000    
 C    3.742700      0.4963000      0.3521000    
 C    1.383000      -2.418700      6.4199999E-02
 H    1.978400       2.432000      0.2902000    
 H  -0.6749000      -2.469800     -0.2151000    
 H  -0.1836000       3.493800      0.1893000    
 H    3.503000      -2.160800      0.2180000    
 H    3.642200       1.389800      0.9759000    
 H    4.473100     -0.1147000      0.8989000    
 H    1.452100      -3.500600     -4.4999998E-03
 H   -2.553600       3.324600      9.3000000E-03
 H   -3.392300       1.822600     -0.2333000    
 H    3.656500       1.406800      -1.464200    
 H    4.456500     -1.7800000E-02  -1.482300    
 H   -2.373200      -1.849700       1.706500    


%chk=000104072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104072

0 1
S -2.755724 -0.716732 -0.207084
O -2.814615 -1.398947 1.532281
O -4.039184 0.274943 -0.397586
O -2.680747 -1.989159 -1.205461
N -2.462301 2.402810 0.066015
N 4.311931 1.088022 -1.005276
C 0.071134 -0.452346 0.014055
C 1.289823 0.327202 0.153123
C -1.182516 0.267900 -0.041142
C 2.572469 -0.329465 0.204912
C -1.291644 1.681771 0.079833
C 1.173002 1.756578 0.250451
C 0.180122 -1.879539 -0.055698
C -0.046167 2.404333 0.217070
C 2.623971 -1.729095 0.144258
C 3.879958 0.470556 0.272172
C 1.432439 -2.495812 0.014445
H 2.077812 2.360630 0.372297
H -0.713004 -2.495989 -0.173462
H -0.099420 3.495612 0.304482
H 3.593972 -2.237746 0.197670
H 3.821508 1.269587 1.033539
H 4.688106 -0.206081 0.602716
H 1.494985 -3.588543 -0.030850
H -2.425634 3.415467 0.150592
H -3.362125 1.916804 -0.061870
H 3.688377 1.827456 -1.346244
H 4.502815 0.401094 -1.742612
H -3.545245 -2.085108 1.545976


