%chk=000119450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119450

0 1
 S    1.619600       1.255400      0.2757000    
 O   -1.912400     -0.9588000      -2.164900    
 O    1.290000      -2.437700       1.042400    
 O   -4.903800      0.2083000       2.277300    
 O   -5.974500       1.551100      0.7969000    
 O    3.653500       4.567900     -3.8899999E-02
 O    2.275900       2.883200      -1.698000    
 O    4.486200     -0.8620000      0.8010000    
 O    5.776500      -2.645600       1.350800    
 N  -0.6078000      -1.033900     -0.2446000    
 N    2.822300      -2.219800     -0.6859000    
 N   -6.768100     -0.6885000     -0.6002000    
 C   0.6764000      -1.119600     -0.9006000    
 C   -4.326100     -0.7870000     -0.7496000    
 C   -2.994300     -0.8694000     -6.9999998E-04
 C   -5.537100     -0.7685000      0.1898000    
 C    1.266100      0.2588000      -1.209000    
 C   -1.805000     -0.9601000     -0.9417000    
 C    1.601400      -2.000700     -6.3699998E-02
 C   -5.517900      0.4532000       1.090500    
 C    3.875200      -3.002300     -8.1799999E-02
 C    2.186900       2.744700     -0.4834000    
 C    2.577100       3.822500      0.5133000    
 C    1.427300       4.783800      0.7657000    
 C    4.812400      -2.174800      0.7596000    
 H   0.5245000      -1.642400      -1.854400    
 H   -4.321900      0.1144000      -1.377800    
 H   -4.408000      -1.642300      -1.433600    
 H   -2.848000      1.9400001E-02  0.6232000    
 H   -2.984400      -1.751100      0.6509000    
 H   -5.573000      -1.674500      0.8049000    
 H  -0.6259000      -1.003400      0.7711000    
 H    2.193900      0.1643000      -1.782200    
 H   0.5571000      0.8207000      -1.828300    
 H    2.992900      -1.837400      -1.610700    
 H   -7.575700     -0.7590000      1.8100001E-02
 H   -6.822700      -1.489200      -1.228800    
 H    3.432800      -3.778500      0.5496000    
 H    4.447000      -3.457900     -0.8952000    
 H    2.934700       3.383100       1.449500    
 H    1.079000       5.239200     -0.1684000    
 H    1.745300       5.602200       1.420300    
 H   0.5770000       4.273500       1.228900    
 H   -4.882600       1.005000       2.849100    
 H    3.328300       5.031400     -0.8297000    
 H    5.109700     -0.3456000       1.354900    


%chk=000119450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000119450

0 1
S 1.039723 1.555276 0.057046
O -2.141901 -0.832576 -2.145643
O 1.063175 -2.121288 1.244974
O -5.221220 -1.399466 2.260875
O -7.257683 -0.334832 1.977443
O 4.808047 2.926982 0.042711
O 2.934004 2.130280 -1.852152
O 4.696601 0.299815 -0.040449
O 5.106259 -0.296487 2.177721
N -0.933632 -1.240128 -0.210899
N 2.740268 -1.520746 -0.253895
N -6.974822 -0.206470 -0.732442
C 0.364980 -1.080385 -0.868297
C -4.528739 -0.502648 -0.452287
C -3.384457 -1.484510 -0.116980
C -5.952321 -0.974458 -0.028245
C 0.602454 0.369849 -1.362039
C -2.119852 -1.154152 -0.911544
C 1.425782 -1.616308 0.135693
C -6.233319 -0.841752 1.469301
C 3.837948 -1.810060 0.681694
C 2.555386 2.301009 -0.668518
C 3.369310 3.174168 0.312000
C 3.021961 4.664414 0.161494
C 4.613129 -0.537047 1.056043
H 0.381655 -1.707906 -1.786313
H -4.335919 0.496786 -0.021874
H -4.549073 -0.373213 -1.550368
H -3.185164 -1.511458 0.966963
H -3.694178 -2.509576 -0.410581
H -5.999340 -2.078692 -0.226017
H -0.886177 -1.592215 0.754688
H 1.437945 0.448518 -2.081358
H -0.315564 0.728786 -1.848813
H 2.990344 -0.990633 -1.092841
H -7.845975 -0.044060 -0.224900
H -7.056454 -0.372639 -1.734020
H 3.410725 -2.252092 1.594428
H 4.545626 -2.536050 0.238356
H 3.220556 2.835178 1.349474
H 3.170271 5.001062 -0.880848
H 3.666074 5.260517 0.829102
H 1.967420 4.846721 0.433469
H -5.480900 -1.315512 3.218805
H 4.999951 3.209709 -0.890531
H 5.006893 1.260391 0.140977


