%chk=000060301.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060301

0 1
 S   -3.920900      -2.987500      6.1700001E-02
 S   0.2680000      0.5479000      -2.852000    
 O   -2.032300      0.3173000      0.2235000    
 O   0.8385000       1.694300       2.041100    
 O   -3.225600       2.249400     -0.1463000    
 N   0.2963000       1.392100     -0.2347000    
 C   -2.927600      -1.824000      0.8287000    
 C   -2.249800      -2.646300     -0.1973000    
 C   -3.250200     -0.3814000      0.5024000    
 C  -0.8366000       2.298500     -0.3675000    
 C    1.924100     -0.1305000     -0.7061000    
 C    2.034700      0.2203000      0.6325000    
 C   0.7998000      0.6248000      -1.273900    
 C   0.9938000       1.196900      0.9408000    
 C   -2.165100       1.635700     -8.8900000E-02
 C    2.791400      -1.047300      -1.274200    
 C    3.000800     -0.3151000       1.462300    
 C    3.778500      -1.604100     -0.4539000    
 C    3.882300      -1.241000      0.9018000    
 H   -2.673500      -1.984500       1.867500    
 H   -2.006200      -2.205900      -1.155600    
 H   -1.558200      -3.410100      0.1344000    
 H   -3.741800      7.7799998E-02   1.368400    
 H   -3.912500     -0.2893000     -0.3680000    
 H  -0.7145000       3.099100      0.3701000    
 H  -0.8646000       2.731000      -1.370700    
 H    2.725800      -1.338300      -2.316200    
 H    3.079200     -3.4400001E-02   2.506200    
 H    4.476200      -2.327500     -0.8680000    
 H    4.658200      -1.688100       1.517500    


%chk=000060301-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060301

0 1
S -4.322147 -3.131536 0.542989
S 0.258631 0.760482 -2.809282
O -2.038109 0.335396 0.189487
O 0.840606 1.770384 2.169246
O -3.208413 2.226761 -0.515802
N 0.375706 1.486295 -0.151466
C -3.004127 -1.764990 0.849344
C -2.498405 -2.884550 -0.008288
C -3.330701 -0.431808 0.223097
C -0.778220 2.371755 -0.200097
C 2.004581 -0.049778 -0.691272
C 2.146126 0.237431 0.692808
C 0.867782 0.738104 -1.230677
C 1.099166 1.225730 1.069816
C -2.137909 1.660169 -0.214250
C 2.866416 -0.954675 -1.333502
C 3.144744 -0.365702 1.472268
C 3.878203 -1.569993 -0.553364
C 4.016764 -1.281109 0.829173
H -2.656504 -1.723601 1.886677
H -2.374458 -2.698612 -1.079758
H -1.800837 -3.602515 0.431359
H -4.064879 0.145641 0.810875
H -3.704589 -0.541332 -0.809983
H -0.743120 3.015869 0.698287
H -0.735800 3.009227 -1.099077
H 2.750813 -1.168032 -2.401035
H 3.241884 -0.132529 2.537262
H 4.566404 -2.280407 -1.023750
H 4.808592 -1.772277 1.404513


