%chk=000099721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099721

0 1
 S    3.131200      6.4499997E-02  0.7570000    
 S    5.012700      0.4382000     -8.7399997E-02
 O    5.808800       1.281200       1.058300    
 O    5.678300     -0.8408000     -0.2439000    
 O    4.809400       1.314000      -1.225300    
 N  -2.2800000E-02 -0.3518000     -0.3540000    
 N   0.7731000      -2.416300      0.5895000    
 C   -2.471200      2.6900001E-02 -0.7748000    
 C   -3.694600      5.2499998E-02  0.1967000    
 C   -2.875800      0.8149000       1.272000    
 C   -1.379700     -0.6676000      9.3999997E-02
 C   -2.116600       1.537200     -0.8982000    
 C   -1.637300     -8.6199999E-02   1.496300    
 C   -2.375200       2.068400      0.5216000    
 C   -2.685200     -0.6416000      -2.120100    
 C   -4.210000      -1.325900      0.6588000    
 C   -4.933100      0.8193000     -0.3112000    
 C   0.8938000      -1.218600     -7.9599999E-02
 C    2.294300     -0.8683000     -0.5498000    
 H   -3.409800       1.049800       2.195800    
 H   -1.568200      -1.746200      7.2499998E-02
 H   -2.757100       2.049500      -1.625000    
 H   -1.084700       1.718200      -1.214800    
 H  -0.7860000      0.4734000       1.899700    
 H   -1.862600     -0.8883000       2.207700    
 H   -1.468800       2.490300      0.9685000    
 H   -3.132900       2.859000      0.5095000    
 H   -3.484400     -0.1522000      -2.686000    
 H   -1.774700     -0.5969000      -2.727200    
 H   -2.955700      -1.696000      -2.003900    
 H   -3.447000      -1.987100       1.073700    
 H   -4.676000      -1.863300     -0.1749000    
 H   -4.969500      -1.203900       1.440100    
 H   -5.423300      0.2675000      -1.121500    
 H   -4.724900       1.819900     -0.6950000    
 H   -5.663400      0.9401000      0.4975000    
 H    2.855200      -1.780600     -0.7739000    
 H    2.238700     -0.2608000      -1.458600    
 H  -9.8999999E-02  -2.734700      0.9950000    
 H    1.579000      -3.013200      0.7458000    
 H    5.378300       2.122900       1.338400    


%chk=000099721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099721

0 1
S 3.267349 1.455618 0.236715
S 4.931480 -0.251151 0.930457
O 5.905632 -0.229552 -0.664024
O 5.897990 0.108189 2.170467
O 4.154513 -1.689890 0.957239
N -0.086764 0.242888 -0.582075
N 1.334026 -1.347651 0.567732
C -2.598389 0.167573 -0.825438
C -3.744366 -0.239936 0.192967
C -3.067984 0.521543 1.391720
C -1.324274 -0.388106 -0.091557
C -2.554998 1.723069 -0.671384
C -1.640243 -0.099016 1.437887
C -2.913910 1.968255 0.836931
C -2.715905 -0.314437 -2.273156
C -3.909601 -1.763547 0.423990
C -5.140792 0.307533 -0.191285
C 1.082692 -0.284383 -0.281412
C 2.298817 0.334112 -0.934513
H -3.606064 0.459790 2.354057
H -1.273133 -1.487972 -0.260320
H -3.281849 2.203407 -1.350929
H -1.551038 2.094769 -0.933462
H -0.907198 0.606549 1.868457
H -1.611073 -1.028251 2.038137
H -2.123367 2.523697 1.372856
H -3.850545 2.543172 0.948546
H -3.629455 0.080501 -2.755624
H -1.846815 0.033311 -2.861757
H -2.744301 -1.419354 -2.340375
H -2.993381 -2.267313 0.775212
H -4.228850 -2.264554 -0.509629
H -4.696124 -1.947510 1.180384
H -5.545342 -0.243875 -1.061124
H -5.134035 1.378592 -0.450290
H -5.850127 0.167738 0.646818
H 3.000838 -0.422231 -1.328950
H 1.975032 0.988083 -1.762593
H 0.577547 -1.758761 1.112237
H 2.304900 -1.643546 0.759183
H 6.602408 -0.949956 -0.608795


