%chk=000148824.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148824

0 1
 S   -2.775100     -0.7963000     -8.3999997E-03
 O    3.448000      -3.844200     -8.2099997E-02
 O   -6.625300     -0.4891000     -3.9700001E-02
 O   -5.286000      -2.228400     -3.0500000E-02
 N    2.159400      -1.348900      2.5800001E-02
 N   6.8800002E-02 -0.3044000      1.3000000E-02
 N  -9.5299996E-02   2.099800      1.4900000E-02
 N   -5.459900     -0.9771000     -3.0600000E-02
 C    2.540800      -1.932500      -1.267600    
 C    2.006900      -2.309500       1.123800    
 C    1.408200     -0.1690000      2.1800000E-02
 C    3.732600      -2.864500      -1.080500    
 C    3.226900      -3.221900       1.183200    
 C    2.065000       1.058200      2.7500000E-02
 C    1.245700       2.199000      2.3600001E-02
 C  -0.6108000      0.8537000      1.0200000E-02
 C    3.465900       1.174100      3.6699999E-02
 C    1.866900       3.445500      2.9200001E-02
 C   -2.042300      0.7561000     -1.4000000E-03
 C    4.060000       2.432200      4.2199999E-02
 C    3.259300       3.569000      3.8300000E-02
 C   -2.989700       1.763800     -8.6000003E-03
 C   -4.320900       1.255900     -1.9800000E-02
 C   -4.349000     -0.1214000     -2.1000000E-02
 H    2.800400      -1.154200      -1.994500    
 H    1.686100      -2.494600      -1.663700    
 H    1.103000      -2.906000      0.9497000    
 H    1.894900      -1.789500       2.082100    
 H    3.946000      -3.389900      -2.016700    
 H    4.634900      -2.308300     -0.7987000    
 H    4.125900      -2.667300       1.478400    
 H    3.066600      -4.011800       1.923800    
 H    4.115200      0.3027000      4.4500001E-02
 H    1.262700       4.350800      2.6400000E-02
 H    5.141600       2.525900      5.0500002E-02
 H    3.715100       4.554900      4.2800002E-02
 H   -2.749500       2.819900     -5.9000002E-03
 H   -5.205300       1.880800     -2.6799999E-02


%chk=000148824-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148824

0 1
S -2.750983 -0.900373 0.375857
O 3.658733 -3.883501 0.029935
O -6.692694 -0.327975 0.768635
O -5.380439 -2.213431 0.839530
N 2.152376 -1.435903 -0.214101
N 0.122675 -0.293532 -0.015468
N -0.115786 2.120993 -0.291238
N -5.546506 -0.931411 0.707887
C 3.342988 -1.690310 -1.065068
C 1.460327 -2.700786 0.143391
C 1.472589 -0.228437 -0.150787
C 4.321488 -2.619172 -0.323150
C 2.465148 -3.625219 0.857266
C 2.140826 1.074288 -0.181380
C 1.270403 2.225192 -0.323906
C -0.603631 0.879238 -0.063303
C 3.539459 1.295952 0.003155
C 1.845531 3.529429 -0.437416
C -2.050350 0.739704 0.110767
C 4.076098 2.588297 -0.070946
C 3.227778 3.707024 -0.327139
C -3.022613 1.745812 0.106278
C -4.346731 1.258387 0.314440
C -4.375814 -0.126276 0.477998
H 3.825279 -0.750555 -1.367976
H 3.001786 -2.208105 -1.986815
H 1.072197 -3.192058 -0.772225
H 0.600575 -2.469090 0.790483
H 5.167747 -2.901560 -0.970485
H 4.703582 -2.119441 0.594242
H 2.770980 -3.169181 1.823315
H 2.019212 -4.615713 1.042206
H 4.198264 0.459516 0.255151
H 1.161885 4.372438 -0.574121
H 5.149040 2.742978 0.084058
H 3.659864 4.710669 -0.401238
H -2.755715 2.793020 -0.044009
H -5.247870 1.872593 0.348076


