%chk=000062084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062084

0 1
 S   -3.970000       2.230400     -5.0600000E-02
 O   -2.795100       2.993600      0.8156000    
 O   -5.233700       2.440100      0.6576000    
 O   -3.824500       2.633400      -1.448900    
 N   -3.696600      0.5905000     -3.3599999E-02
 N   -2.586000      -1.334800     -1.2800000E-02
 C    2.580400     -0.3170000      5.3700000E-02
 C    3.896200      0.4625000      8.4100001E-02
 C    1.375800      0.6265000      2.4599999E-02
 C    5.101900     -0.4799000      7.9700001E-02
 C   6.0199998E-02 -0.1556000     -3.9000001E-02
 C    6.416200      0.3032000      7.2600000E-02
 C    7.659300     -0.5913000      4.5800000E-02
 C   -1.179400      0.7460000     -4.5699999E-02
 C    9.004000      0.1359000     -4.8599999E-02
 C   -2.476000     -2.5200000E-02 -3.0300001E-02
 C    10.20880     -0.8046000     -1.4800000E-02
 C   -4.658500     -0.3868000     -1.6899999E-02
 C   -3.940100      -1.579300     -4.1000000E-03
 C    11.51620     -3.4100000E-02 -0.1188000    
 C   -6.052800     -0.3318000     -1.1800000E-02
 C   -4.637700      -2.798800      1.4700000E-02
 C   -6.730800      -1.555100      7.1000000E-03
 C   -6.037800      -2.767800      2.0199999E-02
 H    2.517900     -0.9683000      0.9338000    
 H    2.558900     -0.9652000     -0.8309000    
 H    3.927900       1.097500      0.9778000    
 H    3.947800       1.127200     -0.7870000    
 H    1.383600       1.260600      0.9193000    
 H    1.445900       1.291300     -0.8448000    
 H    5.059200      -1.128900     -0.8033000    
 H    5.066600      -1.130300      0.9619000    
 H   5.5500001E-02 -0.7855000     -0.9379000    
 H   9.8999999E-03 -0.8378000      0.8198000    
 H    6.437600      0.9633000     -0.8033000    
 H    6.461700      0.9503000      0.9571000    
 H   -1.149300       1.402600     -0.9225000    
 H   -1.123500       1.363400      0.8560000    
 H    7.657900      -1.215000      0.9488000    
 H    7.578400      -1.280600     -0.8045000    
 H    9.025600      0.7240000     -0.9744000    
 H    9.079700      0.8500000      0.7808000    
 H    10.20260      -1.382700      0.9164000    
 H    10.14400      -1.520300     -0.8424000    
 H    11.56570      0.5303000      -1.055400    
 H    12.36540     -0.7241000     -9.2799999E-02
 H    11.62440      0.6693000      0.7129000    
 H   -6.613300      0.5935000     -4.4399999E-02
 H   -4.108500      -3.746300      2.4700001E-02
 H   -7.818000      -1.561600      6.3000000E-03
 H   -6.592700      -3.702400      3.3399999E-02
 H   -2.811700       3.978000      0.7624000    


%chk=000062084-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062084

0 1
S -4.077620 2.413831 -0.215273
O -3.479969 2.743051 1.509356
O -5.656277 2.691238 -0.319992
O -3.060957 3.118217 -1.241093
N -3.770548 0.632522 -0.138956
N -2.649803 -1.326448 0.019753
C 2.609400 -0.337037 -0.068558
C 3.946692 0.437018 -0.076688
C 1.369460 0.583554 -0.116188
C 5.186196 -0.484922 -0.038933
C 0.040783 -0.202034 -0.085962
C 6.524856 0.287206 -0.037224
C 7.763941 -0.635798 -0.004102
C -1.184382 0.735484 -0.155157
C 9.103506 0.134888 0.000554
C -2.484750 -0.010384 -0.093152
C 10.341848 -0.789924 0.032370
C -4.788739 -0.360666 -0.017082
C -4.048428 -1.579978 0.071463
C 11.676069 -0.012604 0.036941
C -6.195957 -0.323430 0.010020
C -4.719821 -2.814042 0.184935
C -6.850929 -1.570432 0.129067
C -6.130399 -2.794258 0.214968
H 2.559457 -0.972112 0.840508
H 2.582636 -1.031847 -0.933734
H 3.976517 1.126407 0.793175
H 3.994311 1.077840 -0.982149
H 1.404427 1.287492 0.741960
H 1.413144 1.208082 -1.033212
H 5.159786 -1.169924 -0.912244
H 5.135237 -1.130621 0.862874
H 0.002729 -0.915411 -0.931006
H -0.016790 -0.814374 0.833705
H 6.575020 0.935477 -0.937249
H 6.553021 0.969639 0.838144
H -1.149046 1.340873 -1.082327
H -1.150225 1.465459 0.679603
H 7.712729 -1.285625 0.894817
H 7.736675 -1.316891 -0.880560
H 9.156384 0.785285 -0.897846
H 9.133162 0.815167 0.877606
H 10.287793 -1.439396 0.930097
H 10.310952 -1.469282 -0.844009
H 11.769412 0.619301 -0.866608
H 12.544698 -0.696270 0.062319
H 11.743486 0.652758 0.918526
H -6.756232 0.611355 -0.054431
H -4.150834 -3.746472 0.245708
H -7.945654 -1.591176 0.156528
H -6.682767 -3.735386 0.305426
H -3.465000 3.736901 1.640913


