%chk=000113818.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113818

0 1
 S    2.007100     -7.4000001E-02  0.9480000    
 P    3.393000       1.159100     -2.1500001E-02
 O    2.640200       1.935500      -1.231100    
 O    3.790800       2.391900      0.9556000    
 O    4.590900      0.3782000     -0.4895000    
 N   -1.537900     -0.8842000     -6.7500003E-02
 N   -5.431600       2.088300     -0.5936000    
 C   0.4966000      -2.331200      0.2187000    
 C  -0.7657000      -1.710200      0.8546000    
 C    1.527300      -1.309400     -0.2975000    
 C   -2.662000     -0.2586000      0.6138000    
 C   0.1182000      -3.286900     -0.9217000    
 C   -3.494600      0.6089000     -0.3328000    
 C   -4.672100       1.292600      0.3645000    
 H   0.9830000      -2.935900      0.9969000    
 H   -1.402100      -2.530500       1.212100    
 H  -0.4877000      -1.134600       1.744900    
 H    2.435500      -1.831700     -0.6178000    
 H    1.140600     -0.7738000      -1.171000    
 H  -0.9418000     -0.1606000     -0.4672000    
 H   -3.311900      -1.030300       1.044300    
 H   -2.300300      0.3673000       1.439100    
 H    1.005600      -3.808400      -1.296400    
 H  -0.5904000      -4.046200     -0.5743000    
 H  -0.3370000      -2.755000      -1.763800    
 H   -3.868500     -1.5900001E-02  -1.155000    
 H   -2.849200       1.373600     -0.7854000    
 H   -4.307100       1.945100       1.164600    
 H   -5.329800      0.5429000      0.8174000    
 H   -5.800000       1.483600      -1.326700    
 H   -6.240500       2.496600     -0.1271000    
 H    3.177400       2.464100      -1.859000    
 H    4.515500       2.994500      0.6837000    


%chk=000113818-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113818

0 1
S 2.704576 -0.639368 0.808192
P 2.591274 1.325662 -0.275367
O 0.955213 1.763980 0.088533
O 3.431091 2.417166 0.777190
O 3.002055 1.428580 -1.809846
N -1.021787 -0.631912 0.265952
N -4.803076 2.311569 -1.015543
C 0.613872 -2.547658 0.340550
C -0.407011 -1.669948 1.120736
C 1.657206 -1.701343 -0.413056
C -2.416708 -0.266555 0.596943
C -0.107571 -3.448854 -0.693549
C -2.931197 0.818890 -0.368832
C -4.375183 1.263494 -0.064596
H 1.135658 -3.193558 1.077878
H -1.207327 -2.338556 1.492491
H 0.097369 -1.239830 2.015596
H 2.381159 -2.321782 -0.963382
H 1.148209 -1.018386 -1.114135
H -0.429409 0.212510 0.215159
H -3.047384 -1.174520 0.507303
H -2.532523 0.100896 1.649033
H 0.606634 -4.019267 -1.316350
H -0.762104 -4.174857 -0.177283
H -0.735398 -2.822892 -1.352690
H -2.862506 0.430089 -1.405037
H -2.278086 1.712739 -0.317220
H -4.414728 1.692735 0.955580
H -5.034811 0.359442 -0.058431
H -4.775209 2.009155 -1.995306
H -5.697381 2.754346 -0.781988
H 0.652835 2.621611 -0.310647
H 4.353748 2.631225 0.481422


