%chk=000227380.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227380

0 1
 S    1.077000       2.108500     -2.7999999E-03
 O    2.405600       1.086900     -1.5000000E-03
 O   -2.898100      -2.555700     -6.0000003E-04
 O  -0.7436000      -2.976900     -1.9000000E-03
 N   -1.517000       1.394900     -2.4000001E-03
 N  -0.1304000     -0.3398000     -2.6000000E-03
 N   -1.700700      -2.151900     -1.2000001E-03
 C   -2.308000      0.2821000     -1.1000000E-03
 C   -3.749200      0.3451000     -9.9999997E-05
 C   -1.431800     -0.7760000     -1.5000000E-03
 C  -0.2169000      0.9719000     -3.1999999E-03
 C   -4.444500      0.3759000       1.208800    
 C   -4.447700      0.3745000      -1.207200    
 C    4.759400      0.7376000      1.9999999E-04
 C    3.658500       1.757200     -8.9999998E-04
 C   -5.838100      0.4359000       1.210700    
 C   -5.841300      0.4345000      -1.205200    
 C   -6.536400      0.4652000      3.7000000E-03
 C    5.263300      0.2700000       1.208800    
 C    5.265500      0.2692000      -1.207200    
 C    6.286600     -0.6779000       1.210100    
 C    6.288700     -0.6788000      -1.205800    
 C    6.799100      -1.152400      2.9000000E-03
 H   -1.829200       2.357100     -2.3000001E-03
 H   -3.915000      0.3532000       2.158500    
 H   -3.920800      0.3506000      -2.158200    
 H    3.745200       2.400900      0.8844000    
 H    3.746400       2.400200     -0.8867000    
 H   -6.379500      0.4595000       2.152000    
 H   -6.385300      0.4572000      -2.145000    
 H   -7.621400      0.5117000      5.2000000E-03
 H    4.869700      0.6309000       2.155100    
 H    4.873700      0.6294000      -2.154400    
 H    6.683700      -1.047200       2.151200    
 H    6.687500      -1.048900      -2.145800    
 H    7.595600      -1.890800      3.8000001E-03


%chk=000227380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227380

0 1
S 1.240689 3.256138 -0.487190
O 2.411955 2.044039 0.298657
O -2.750108 -0.778711 -3.139133
O -0.531593 -0.904645 -3.670899
N -1.146595 1.813461 -0.157795
N -0.056218 1.322997 -2.069797
N -1.508763 -0.427703 -2.984105
C -1.939778 0.844288 -0.769442
C -3.145955 0.334184 -0.091451
C -1.211805 0.565462 -1.963627
C -0.032956 2.091027 -0.960775
C -3.119828 0.197138 1.329018
C -4.346082 0.025773 -0.789259
C 4.097836 0.373664 0.071754
C 3.311002 1.389105 -0.719385
C -4.264006 -0.230779 2.030823
C -5.488736 -0.397512 -0.078414
C -5.456285 -0.526421 1.328834
C 5.227954 0.774483 0.830983
C 3.705471 -0.989416 0.083681
C 5.955955 -0.171168 1.584991
C 4.434723 -1.938077 0.833990
C 5.560856 -1.530070 1.587053
H -1.355329 2.271919 0.730814
H -2.189510 0.376944 1.881986
H -4.373475 0.116809 -1.876067
H 3.956686 2.164259 -1.173283
H 2.692056 0.915330 -1.503922
H -4.222575 -0.345376 3.119132
H -6.406783 -0.628391 -0.628846
H -6.346406 -0.859954 1.873012
H 5.530412 1.828342 0.830810
H 2.832263 -1.304142 -0.500306
H 6.828331 0.146595 2.166725
H 4.129324 -2.990213 0.830378
H 6.127872 -2.265579 2.168854


