%chk=000153909.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153909

0 1
 S    2.559200      0.9456000      -1.465900    
 O    2.567100      0.5405000      -2.858500    
 O    3.553900       1.875200     -0.9669000    
 O    1.512400       1.207300       1.936300    
 O  -0.2022000     -0.3703000      -1.722800    
 O    3.803800       1.419200       1.878300    
 O   -3.273400      -2.713400      0.3016000    
 N   0.9931000       1.498400      -1.051700    
 N   -1.431600       1.395900     -0.8597000    
 N   -3.600700       1.319200      8.2000000E-03
 N   -2.321100     -0.6889000     -0.2883000    
 N   -4.545500     -0.8044000      0.6045000    
 C    2.652700     -0.5317000     -0.5000000    
 C    2.746000     -0.4710000      0.8818000    
 C    2.629400      -1.748300      -1.165700    
 C    2.817700      -1.654900       1.616100    
 C  -0.2320000      0.7743000      -1.269800    
 C    2.701100      -2.932100     -0.4314000    
 C    2.795200      -2.885400      0.9594000    
 C    2.772500      0.7947000       1.602800    
 C   -2.528800      0.6206000     -0.3432000    
 C   -1.526400       2.852300     -0.9754000    
 C   -4.581500      0.5319000      0.4789000    
 C   -3.384700      -1.346100      0.2015000    
 C   -5.838200       1.210900      0.9058000    
 C    1.406500       2.444100       2.649500    
 C   -2.044600      -3.283400     -0.1255000    
 H   0.9455000       2.370300     -0.5099000    
 H    2.554000      -1.820300      -2.245900    
 H    2.891000      -1.632100       2.700400    
 H    2.682200      -3.890400     -0.9422000    
 H    2.850300      -3.807200       1.531000    
 H   -2.494100       3.128300      -1.405400    
 H   -1.422400       3.289700      2.2000000E-02
 H  -0.7474000       3.252500      -1.630700    
 H   -6.712300      0.6313000      0.5930000    
 H   -5.853100       1.310400       1.995200    
 H   -5.916500       2.209000      0.4634000    
 H    1.921700       2.369600       3.611600    
 H    1.820200       3.260800       2.050600    
 H   0.3468000       2.642400       2.830200    
 H   -1.207300      -2.913000      0.4759000    
 H   -1.871800      -3.094600      -1.190400    
 H   -2.107300      -4.366200      1.7600000E-02


%chk=000153909-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153909

0 1
S 2.362223 1.151824 -1.178592
O 2.370856 0.928248 -2.777167
O 3.240978 2.352164 -0.535622
O 2.250307 1.278602 1.898525
O -0.310199 -0.361970 -1.551623
O 4.216315 0.449574 2.848762
O -3.727665 -2.569233 0.755591
N 0.640388 1.577408 -0.674974
N -1.695977 1.417294 -0.744440
N -4.047413 1.309013 -0.478436
N -2.655535 -0.602908 0.053143
N -5.072573 -0.750092 0.296196
C 2.746194 -0.551611 -0.377314
C 3.215630 -0.691622 0.947376
C 2.646879 -1.618700 -1.281781
C 3.637975 -1.988881 1.343878
C -0.443769 0.765910 -1.020818
C 3.042890 -2.903864 -0.847927
C 3.548009 -3.083314 0.459893
C 3.319823 0.392306 1.978071
C -2.834890 0.675641 -0.389708
C -1.816051 2.885911 -0.936021
C -5.133601 0.552780 -0.113558
C -3.805972 -1.264123 0.350533
C -6.493775 1.190452 -0.184945
C 2.339965 2.494796 2.746415
C -2.372252 -3.174384 0.795076
H 0.601579 2.340913 0.005972
H 2.281983 -1.438691 -2.296956
H 4.034941 -2.109500 2.356830
H 2.966622 -3.751553 -1.535862
H 3.874267 -4.074594 0.790555
H -2.870395 3.105840 -1.156113
H -1.530291 3.441591 -0.021689
H -1.177646 3.204295 -1.774392
H -7.100086 0.695588 -0.965175
H -7.028943 1.051015 0.769975
H -6.405453 2.261378 -0.418501
H 2.896854 2.275194 3.670964
H 2.857187 3.273428 2.161347
H 1.301411 2.782061 2.966593
H -1.770390 -2.705294 1.591257
H -1.859330 -3.037116 -0.170677
H -2.561671 -4.235077 1.011640


