%chk=000226994.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226994

0 1
 S   -2.653000      -1.999500      0.3680000    
 O   -3.680900      -2.757800     -0.3187000    
 O   -2.401200      -2.215800       1.780000    
 O    5.702200       1.311200      0.5416000    
 N   -1.185700      -2.139700     -0.4852000    
 N  -8.4600002E-02  -1.324500     -1.8000000E-03
 N   -3.934300       3.755700     -0.4005000    
 C   -3.033900     -0.2877000      0.1390000    
 C   -3.790300      9.5200002E-02 -0.9546000    
 C   -2.568400      0.6358000       1.058200    
 C   -3.630100       2.390700     -0.2186000    
 C   -4.090900       1.445400      -1.134900    
 C   -2.868900       1.986000      0.8780000    
 C    2.225600     -0.7717000     -0.3542000    
 C    3.382300     -0.9915000      -1.101800    
 C    2.237300      0.1476000      0.6949000    
 C    1.007200      -1.501000     -0.6694000    
 C    4.562700      0.6273000      0.2485000    
 C    4.551000     -0.2920000     -0.8004000    
 C    3.405800      0.8471000      0.9961000    
 C    6.848200       1.039400     -0.2640000    
 H   -4.151300     -0.6242000      -1.683000    
 H   -1.969500      0.3412000       1.914400    
 H   -4.683500       1.748500      -1.994300    
 H   -2.502900       2.713200       1.598200    
 H   -1.178300      -2.434700      -1.469000    
 H    3.387600      -1.704700      -1.922200    
 H    1.351900      0.3407000       1.294700    
 H    1.053000      -2.216300      -1.510900    
 H    5.413000     -0.5110000      -1.421200    
 H    3.409000       1.562400       1.814100    
 H   -3.599900       4.441700      0.2630000    
 H   -4.485500       4.049900      -1.195800    
 H    7.661900       1.670300      0.1082000    
 H    7.176200     -3.9999999E-04 -0.1591000    
 H    6.680200       1.318200      -1.309800    


%chk=000226994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226994

0 1
S -2.528220 -1.811515 0.347451
O -3.572984 -2.876690 -0.307746
O -1.937431 -1.995705 1.853612
O 5.936513 1.281852 0.503966
N -1.094739 -1.841794 -0.989953
N 0.027860 -1.186032 -0.561576
N -4.693989 3.805723 -0.160175
C -3.176810 -0.084494 0.177667
C -4.092442 0.193188 -0.854207
C -2.748197 0.886462 1.100977
C -4.189858 2.516198 -0.048134
C -4.600917 1.497575 -0.963484
C -3.260275 2.189485 0.987046
C 2.433675 -0.829267 -0.615051
C 3.694743 -1.272795 -1.094226
C 2.394179 0.323894 0.227155
C 1.223204 -1.563230 -0.983212
C 4.826335 0.534403 0.091160
C 4.888773 -0.605229 -0.749211
C 3.571324 0.995756 0.576445
C 7.258668 0.845446 0.045969
H -4.409173 -0.598811 -1.540148
H -2.045335 0.615385 1.894839
H -5.319482 1.736345 -1.755843
H -2.943678 2.962065 1.697068
H -1.016124 -2.850910 -1.265185
H 3.744891 -2.155026 -1.744806
H 1.422455 0.668583 0.593989
H 1.349316 -2.435503 -1.656027
H 5.844044 -0.974622 -1.133401
H 3.556322 1.878708 1.222671
H -4.410737 4.535556 0.487496
H -5.358322 4.045383 -0.890664
H 7.966159 1.561524 0.488590
H 7.489005 -0.177110 0.402731
H 7.333247 0.880201 -1.058282


