%chk=000226975.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226975

0 1
 S   -2.327400      -1.722800     -0.2597000    
 O   -2.591300      -2.851600      0.6115000    
 O   -2.548600      -1.830500      -1.689100    
 O    3.922400      0.9229000      -1.403000    
 N   -3.152900     -0.3536000      0.3270000    
 N    3.328300     -0.1598000      0.6052000    
 N   -2.888600      0.8984000     -0.3605000    
 C  -0.6411000      -1.257300     -2.0999999E-03
 C    1.997600     -0.5278000      0.4017000    
 C   3.5200000E-02 -0.5874000      -1.006400    
 C  -3.0099999E-02  -1.571500       1.199200    
 C    1.365300     -0.2199000     -0.8029000    
 C    1.299900      -1.203700       1.402700    
 C   -2.788100       3.313200     -0.1322000    
 C    4.182800      0.5170000     -0.2750000    
 C   -3.035500       1.930200      0.4007000    
 C   -1.678800       3.978600      0.6590000    
 C    5.551100      0.7256000      0.3239000    
 H  -0.4425000     -0.3342000      -1.947900    
 H  -0.5582000      -2.089600       1.993600    
 H    1.838900      0.3018000      -1.622800    
 H    1.779700      -1.448600       2.347000    
 H   -3.434600     -0.3162000       1.314100    
 H    3.717400     -0.4204000       1.509000    
 H   -3.715200       3.885700     -2.8200001E-02
 H   -2.525700       3.264600      -1.193800    
 H   -3.347400       1.848800       1.457400    
 H   -1.497200       4.991200      0.2860000    
 H  -0.7462000       3.409800      0.5794000    
 H   -1.936900       4.045200       1.721200    
 H    5.470500       1.343700       1.222500    
 H    6.198800       1.230400     -0.3982000    
 H    5.994300     -0.2401000      0.5828000    


%chk=000226975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226975

0 1
S -2.118878 -1.467263 -0.159608
O -2.565122 -2.749637 0.738155
O -2.499716 -1.344758 -1.734796
O 4.472565 0.656878 -1.383896
N -2.850556 -0.006005 0.864879
N 3.848781 -0.587656 0.508547
N -2.730130 1.193476 0.188519
C -0.287514 -1.160137 0.036655
C 2.453090 -0.753068 0.305957
C 0.383807 -0.438237 -0.961760
C 0.351835 -1.692825 1.168489
C 1.771739 -0.230295 -0.829035
C 1.736181 -1.485239 1.295910
C -3.376081 3.523376 -0.220495
C 4.779217 0.077882 -0.302995
C -3.561897 2.178060 0.434593
C -3.149164 4.654498 0.817067
C 6.212552 0.047316 0.220560
H -0.162943 -0.058303 -1.829902
H -0.214267 -2.264056 1.910510
H 2.333315 0.325947 -1.580760
H 2.264150 -1.894288 2.166106
H -3.798736 -0.325563 1.170886
H 4.221424 -1.015001 1.359350
H -4.280185 3.759418 -0.818573
H -2.523707 3.460939 -0.918875
H -4.400645 2.075474 1.154749
H -3.054417 5.631265 0.309750
H -2.226632 4.475016 1.396688
H -3.992948 4.722528 1.528833
H 6.581395 1.083008 0.312339
H 6.853107 -0.461522 -0.520463
H 6.326280 -0.459129 1.194713


