%chk=000048750.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048750

0 1
 S   0.5407000      0.2809000      3.1900000E-02
 O   -1.691300      0.8702000      -2.267400    
 O   -1.826500      -1.107100       1.989600    
 O   -4.809000       2.182800      0.8333000    
 N   -3.310800       1.454500     -0.7512000    
 N   -3.377900      0.4672000       1.375500    
 C   -2.033000     -0.6056000     -0.3739000    
 C   -2.947100      -1.717400     -0.9191000    
 C  -0.5663000      -1.034200     -0.5264000    
 C   -2.290900      0.6387000      -1.217800    
 C   -2.364600     -0.4405000       1.105900    
 C    3.292200      0.3298000      0.1387000    
 C    2.121900     -0.5534000     -0.2855000    
 C    4.629200     -0.3716000     -0.1206000    
 C   -2.785800      -2.990900     -0.1199000    
 C    5.808800      0.5221000      0.2694000    
 C   -3.907600       1.410400      0.5031000    
 C    7.171100     -0.1233000      7.4000000E-03
 C    8.346700      0.7873000      0.3269000    
 H   -4.000200      -1.409600     -0.8860000    
 H   -2.719300      -1.916300      -1.974300    
 H  -0.3236000      -1.914300      7.4699998E-02
 H  -0.3336000      -1.265800      -1.572200    
 H    3.267600       1.276300     -0.4159000    
 H    3.214800      0.5730000       1.205900    
 H    2.144300      -1.495000      0.2732000    
 H    2.192400     -0.7825000      -1.354000    
 H    4.673500      -1.307100      0.4497000    
 H    4.706900     -0.6351000      -1.182400    
 H   -3.414200      -3.766900     -0.5743000    
 H   -3.133900      -2.900300      0.9122000    
 H   -1.769700      -3.390700     -0.1266000    
 H    5.747000       1.463400     -0.2910000    
 H    5.733300      0.7817000       1.332700    
 H   -3.598500       2.215200      -1.360600    
 H   -3.715200      0.4999000       2.333500    
 H    7.258500      -1.040100      0.6026000    
 H    7.234900     -0.4215000      -1.046000    
 H    8.337600       1.079800       1.381600    
 H    8.313000       1.696300     -0.2821000    
 H    9.291700      0.2745000      0.1227000    


%chk=000048750-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048750

0 1
S 0.479380 0.211755 -1.803380
O -3.008879 0.723795 -2.333862
O -0.485486 -1.353668 1.240695
O -2.908944 2.540420 1.943338
N -2.975260 1.570605 -0.183229
N -1.792199 0.520436 1.572146
C -1.958293 -0.688843 -0.618778
C -3.115843 -1.776415 -0.527677
C -0.873360 -1.112216 -1.634289
C -2.657531 0.585807 -1.135269
C -1.324881 -0.538496 0.772983
C 3.082292 0.317122 -0.722670
C 1.927628 -0.674636 -0.936847
C 4.307186 -0.361915 -0.062673
C -2.661017 -3.203100 -0.161765
C 5.475419 0.619518 0.186500
C -2.586010 1.608886 1.166435
C 6.703765 -0.053438 0.840753
C 7.866676 0.930954 1.091606
H -3.866281 -1.424148 0.208040
H -3.612381 -1.778106 -1.516617
H -0.384741 -2.040465 -1.304678
H -1.325684 -1.247981 -2.628419
H 3.386005 0.757733 -1.693585
H 2.735162 1.154606 -0.085657
H 1.546167 -1.068896 0.020130
H 2.238855 -1.513401 -1.584315
H 4.000263 -0.818675 0.901023
H 4.659640 -1.194529 -0.706424
H -3.549800 -3.851356 -0.056513
H -2.100601 -3.229461 0.787913
H -2.020713 -3.643692 -0.945562
H 5.780581 1.080765 -0.775995
H 5.125804 1.451053 0.833210
H -3.506174 2.382813 -0.514761
H -1.439150 0.567158 2.533771
H 6.396485 -0.517142 1.800365
H 7.052741 -0.882946 0.192329
H 7.552988 1.751588 1.764114
H 8.210349 1.387857 0.144220
H 8.732942 0.425454 1.556695


