%chk=000227048.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227048

0 1
 S   0.2829000      0.7457000      0.5231000    
 O    3.922500      0.9858000       1.117300    
 O    3.381800      -1.212400      0.9697000    
 N    3.367600     -0.4662000      -1.877900    
 N   -2.282900       2.362700     -0.1163000    
 C    2.675200      0.2618000     -0.8127000    
 C    1.191000     -0.1091000     -0.8043000    
 C   -1.373200      0.1191000      0.2723000    
 C   -2.448500      0.9625000     -1.1600000E-02
 C   -1.576500      -1.258400      0.3679000    
 C    3.361000     -8.2099997E-02  0.4963000    
 C   -3.723800      0.4296000     -0.1996000    
 C   -2.851800      -1.791400      0.1797000    
 C   -3.925300     -0.9475000     -0.1039000    
 H    2.786000       1.336500      -1.002500    
 H   0.7305000      0.1551000      -1.763300    
 H    1.080600      -1.190600     -0.6671000    
 H  -0.7617000      -1.939200      0.6012000    
 H    4.330400     -0.1379000      -1.945900    
 H    2.932400     -0.2547000      -2.775200    
 H   -4.570200       1.074900     -0.4211000    
 H   -3.009600      -2.863100      0.2573000    
 H   -4.918300      -1.362500     -0.2495000    
 H   -3.075800       2.955100     -0.3233000    
 H   -1.366300       2.769700      1.4600000E-02
 H    4.343300      0.7352000       1.967200    


%chk=000227048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227048

0 1
S 0.164449 1.423375 0.216162
O 4.192278 -0.592778 0.905883
O 2.033312 -1.440710 0.872471
N 3.548704 0.086584 -1.767046
N -2.617611 2.234240 -0.814541
C 2.677154 0.458522 -0.630925
C 1.214485 0.525828 -1.100240
C -1.369096 0.386945 0.221950
C -2.584445 0.947602 -0.287536
C -1.340192 -0.920603 0.752224
C 2.865593 -0.619272 0.444477
C -3.763186 0.142542 -0.238135
C -2.513272 -1.707925 0.783146
C -3.722780 -1.162395 0.287803
H 2.952994 1.432240 -0.156352
H 1.142105 1.091099 -2.044549
H 0.792186 -0.480674 -1.234144
H -0.390264 -1.315193 1.128132
H 4.527824 -0.064482 -1.506451
H 3.436045 0.685995 -2.589291
H -4.705554 0.553747 -0.621074
H -2.483202 -2.722931 1.191471
H -4.642835 -1.758233 0.311772
H -3.480327 2.628678 -1.175528
H -1.757547 2.780559 -0.836356
H 4.324483 -1.314158 1.579076


