%chk=000146835.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146835

0 1
 S    5.466600      -1.342100     -0.1463000    
 S    4.873600       2.516400      -1.774400    
 S   -1.127400     -2.8899999E-02  0.9668000    
 O    6.600600      -1.176000      0.7349000    
 O    5.491300      -2.206600      -1.304700    
 O   -4.541000      0.1208000      0.6969000    
 N    1.996800     -2.2700001E-02   1.073600    
 N   -6.108800      -1.507200     -0.9783000    
 C    3.897000      0.6680000     -0.3088000    
 C    5.148200      0.2180000     -0.7613000    
 C    3.222100     -0.2751000      0.5349000    
 C    3.939500      -1.410500      0.7189000    
 C    1.310700     -0.9376000       1.950800    
 C    3.590900       1.917400     -0.7745000    
 C    5.822300       1.085400      -1.566200    
 C  -4.1600000E-02 -0.3844000       2.382600    
 C   -6.553100     -0.1587000     -0.5865000    
 C   -2.522200      0.6687000       1.879100    
 C   -5.437400      0.6924000     -0.1495000    
 C   -3.629700       1.076800      0.9509000    
 C   -5.085100       1.994200     -0.4193000    
 C   -3.895900       2.238300      0.3082000    
 C   -7.258700      -2.326300      -1.345600    
 C   -5.158900      -1.420300      -2.082100    
 H    3.658600      -2.272000       1.307600    
 H    1.561600      0.8676000      0.8551000    
 H    1.913600      -1.116500       2.849500    
 H    1.164500      -1.905400       1.454400    
 H    2.709400       2.518000     -0.5993000    
 H    6.788800      0.9786000      -2.037600    
 H   0.1054000      0.5441000       2.945500    
 H  -0.5390000      -1.107000       3.037600    
 H   -7.258000     -0.2399000      0.2508000    
 H   -7.092600      0.3269000      -1.410500    
 H   -2.184000       1.544500       2.443100    
 H   -2.896300     -7.1500003E-02   2.594500    
 H   -5.616800       2.683300      -1.059900    
 H   -3.322600       3.153300      0.3439000    
 H   -7.805900      -1.915900      -2.202200    
 H   -7.954400      -2.416200     -0.5037000    
 H   -6.941600      -3.344600      -1.597200    
 H   -5.573700     -0.8916000      -2.948500    
 H   -4.870900      -2.425500      -2.412900    
 H   -4.223100     -0.9321000      -1.791000    


%chk=000146835-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146835

0 1
S 6.102783 -0.701470 0.525543
S 4.431515 2.644126 -1.990754
S -1.021583 -0.710464 0.805958
O 7.050916 -0.080099 1.701123
O 6.733528 -1.867615 -0.427249
O -4.464243 0.135581 0.697652
N 2.075483 -0.414763 0.967105
N -6.578133 -1.304341 -1.074886
C 3.895362 0.698911 -0.286162
C 5.316431 0.689359 -0.513617
C 3.411081 -0.343726 0.653576
C 4.407288 -1.162884 1.153816
C 1.512917 -1.446368 1.843430
C 3.258746 1.695147 -1.006775
C 5.802275 1.632618 -1.374769
C 0.102031 -1.050475 2.307840
C -6.674255 0.033032 -0.440072
C -2.228013 0.541322 1.653298
C -5.348247 0.702729 -0.244026
C -3.313846 0.955472 0.736481
C -4.770635 1.848928 -0.774588
C -3.475053 2.009385 -0.154565
C -7.850578 -2.045662 -0.987935
C -6.040301 -1.257368 -2.447861
H 4.366325 -2.017154 1.824748
H 1.387646 0.112074 0.417296
H 2.160350 -1.554069 2.736430
H 1.491022 -2.433423 1.333653
H 2.204637 1.964607 -1.054680
H 6.815409 1.838885 -1.711032
H 0.141606 -0.122328 2.904969
H -0.344110 -1.859033 2.908458
H -7.164698 -0.102903 0.543389
H -7.314844 0.739476 -1.030894
H -1.621595 1.407433 1.961256
H -2.632868 0.026534 2.539231
H -5.222486 2.499573 -1.520753
H -2.753923 2.802494 -0.343001
H -8.689916 -1.565951 -1.554982
H -8.159014 -2.137279 0.069146
H -7.709760 -3.064226 -1.390709
H -6.700082 -0.699030 -3.161919
H -5.916983 -2.286796 -2.827346
H -5.049384 -0.772158 -2.446521


