%chk=000154266.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154266

0 1
 S    2.219700       2.095600      6.1299998E-02
 O    2.473800       2.765900       1.318200    
 O    2.431900       2.770800      -1.200800    
 N   0.6338000       1.447300      8.4600002E-02
 N  -0.8704000      -2.675000     -0.2488000    
 C   -1.826000     -0.2166000      4.3800000E-02
 C   -1.362200      0.6616000      -1.178100    
 C   -1.197300      0.3709000       1.343400    
 C   0.1695000      0.8489000      -1.198700    
 C   0.3158000      0.5828000       1.252100    
 C   -3.362500     -0.3409000      9.7800002E-02
 C   -2.042900       2.043000      -1.234100    
 C   -1.288300      -1.600100     -0.1209000    
 C   -4.049500     -0.8891000     -0.9809000    
 C   -4.051600      9.6500002E-02   1.224900    
 C    3.161800      0.6029000      4.4900000E-02
 C   -5.438900      -1.001200     -0.9321000    
 C   -5.441100     -1.5799999E-02   1.273800    
 C    3.505200      3.0999999E-02  -1.169100    
 C    3.541900      2.7700000E-02   1.246600    
 C   -6.134900     -0.5647000      0.1953000    
 C    4.249600      -1.148700      -1.181900    
 C    4.286400      -1.151800       1.233800    
 C    4.640200      -1.740000      1.9400001E-02
 C    5.436100      -3.001100      5.7000001E-03
 H   -1.624800      0.1476000      -2.113700    
 H   -1.397300     -0.2836000       2.202900    
 H   -1.644200       1.346800       1.573400    
 H   0.6606000     -0.1157000      -1.363400    
 H   0.4328000       1.499700      -2.039400    
 H   0.6488000       1.064700       2.177500    
 H   0.8165000     -0.3861000       1.168300    
 H   -1.673500       2.616200      -2.091900    
 H   -3.126200       1.953700      -1.357200    
 H   -1.852600       2.636200     -0.3348000    
 H   -3.529800      -1.236800      -1.869100    
 H   -3.566100      0.5251000       2.093500    
 H   -5.979300      -1.428700      -1.771700    
 H   -5.983600      0.3227000       2.151900    
 H    3.208600      0.4734000      -2.115200    
 H    3.276400      0.4680000       2.202700    
 H   -7.216700     -0.6525000      0.2334000    
 H    4.519900      -1.597000      -2.134400    
 H    4.586000      -1.602300       2.176400    
 H    5.222300      -3.613000      0.8887000    
 H    5.195400      -3.610800     -0.8719000    
 H    6.505800      -2.770000     -1.0400000E-02


%chk=000154266-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154266

0 1
S 2.224597 1.942521 0.250489
O 2.434503 2.560703 1.740377
O 2.371741 2.817101 -1.112206
N 0.454879 1.334088 0.234654
N -1.056949 -2.691583 0.013912
C -2.016600 -0.191378 0.170984
C -1.477140 0.612335 -1.096466
C -1.443286 0.458187 1.473174
C 0.075512 0.683121 -1.041767
C 0.097899 0.547325 1.439530
C -3.563349 -0.268116 0.147765
C -2.098836 2.018590 -1.229918
C -1.489812 -1.581203 0.084792
C -4.200121 -1.077481 -0.829023
C -4.370946 0.477497 1.040597
C 3.372515 0.444888 0.088713
C -5.606455 -1.134635 -0.917435
C -5.781226 0.420406 0.954888
C 3.753303 0.034008 -1.199647
C 3.809980 -0.191324 1.262377
C -6.405386 -0.381630 -0.025437
C 4.604415 -1.087429 -1.307837
C 4.660564 -1.310307 1.126092
C 5.066714 -1.774796 -0.153582
C 6.006357 -2.958984 -0.284065
H -1.744046 0.019584 -1.994099
H -1.759587 -0.123684 2.358162
H -1.842806 1.481783 1.569691
H 0.506182 -0.340143 -1.135921
H 0.444556 1.308738 -1.872886
H 0.464853 1.088263 2.328139
H 0.541317 -0.475156 1.427295
H -1.783737 2.467482 -2.189080
H -3.200790 1.977583 -1.218359
H -1.752221 2.689595 -0.426484
H -3.593101 -1.682379 -1.513670
H -3.915243 1.107405 1.810121
H -6.077908 -1.769148 -1.675887
H -6.389407 1.003056 1.655664
H 3.418230 0.590379 -2.081178
H 3.517566 0.193427 2.244902
H -7.498019 -0.425393 -0.090421
H 4.917551 -1.429454 -2.300956
H 5.016921 -1.825811 2.025271
H 5.889809 -3.664919 0.556198
H 5.834587 -3.512301 -1.223430
H 7.061520 -2.623312 -0.288232


