%chk=000025819.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025819

0 1
 S   -3.715000       2.474800      0.3903000    
 S   9.6900001E-02 -0.3422000       2.824600    
 S    1.410300       3.395100     -0.7394000    
 N   -1.702400       1.146500       1.532800    
 N   -1.110600       2.829300     -7.2099999E-02
 N   0.6058000       1.561300       1.025000    
 C   -5.272000      -1.566600      -1.073900    
 C    2.352200      -3.230300      9.0700001E-02
 C    4.727300      0.2643000      -1.049600    
 C   -4.322100      0.8997000     -0.1806000    
 C   0.9785000      -1.471400       1.756100    
 C    2.706800       2.171200     -0.8603000    
 C   -4.275000     -0.9030000      -1.788600    
 C    1.010100      -2.941300     -0.1556000    
 C    3.469900      4.4000000E-03  -1.594300    
 C   -5.794300     -0.9972000      8.7399997E-02
 C    3.006300      -2.638300       1.171200    
 C    4.972800       1.479400     -0.4100000    
 C   -3.799900      0.3301000      -1.341800    
 C   0.3220000      -2.060200      0.6785000    
 C    2.457800      0.9596000      -1.499600    
 C   -5.319400      0.2360000      0.5342000    
 C    2.318100      -1.757300       2.005500    
 C    3.960700       2.434600     -0.3152000    
 C   -5.780600      -2.884400      -1.551800    
 C    3.087700      -4.173000     -0.8005000    
 C    5.809100     -0.7572000      -1.150000    
 C   -1.984400       2.110400      0.6458000    
 C  -0.3850000      0.9259000       1.671200    
 C   0.1684000       2.499700      0.1701000    
 H   -3.859400      -1.336900      -2.694200    
 H   0.4892000      -3.397800     -0.9930000    
 H    3.265300     -0.9369000      -2.097200    
 H   -6.570100      -1.505500      0.6538000    
 H    4.051600      -2.855900       1.373500    
 H    5.948500       1.691100      1.9200001E-02
 H   -3.025100      0.8310000      -1.917300    
 H  -0.7248000      -1.852700      0.4706000    
 H    1.487100      0.7376000      -1.936000    
 H   -5.737700      0.6637000       1.442100    
 H    2.844100      -1.304000       2.841900    
 H    4.169400       3.375600      0.1876000    
 H   -6.830400      -3.027500      -1.273900    
 H   -5.725900      -2.956800      -2.643400    
 H   -5.188800      -3.695700      -1.116500    
 H    4.152900      -3.921700     -0.8480000    
 H    2.985000      -5.197900     -0.4306000    
 H    2.703100      -4.128300      -1.825100    
 H    5.580800      -1.514000      -1.908100    
 H    6.757100     -0.2892000      -1.435500    
 H    5.938100      -1.263900     -0.1884000    


%chk=000025819-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025819

0 1
S -3.820554 2.490509 -0.574027
S -0.851818 -2.025432 -0.085140
S 1.471433 2.978986 -0.844143
N -2.151692 0.292131 -0.336337
N -1.137219 2.464217 -0.678881
N 0.266987 0.495242 -0.458722
C -6.939767 -0.967110 -0.047966
C 3.621164 -3.380538 -0.368126
C 5.454361 0.603111 -0.207688
C -5.008012 1.091470 -0.362860
C 0.936947 -2.460573 -0.217287
C 2.976340 1.948033 -0.565481
C -6.564548 -0.512434 -1.338721
C 2.712414 -3.617631 -1.429352
C 4.551851 0.212840 -1.230502
C -6.331266 -0.360249 1.081668
C 3.157372 -2.663117 0.767111
C 5.084345 1.680715 0.638020
C -5.603660 0.509912 -1.501884
C 1.375365 -3.160908 -1.360705
C 3.322830 0.881174 -1.420763
C -5.371381 0.664314 0.931769
C 1.825210 -2.209815 0.851621
C 3.851626 2.348354 0.469270
C -7.948232 -2.090011 0.119534
C 5.052225 -3.884444 -0.432374
C 6.776177 -0.118495 -0.008635
C -2.213501 1.638136 -0.522629
C -0.884708 -0.219802 -0.322374
C 0.072563 1.835523 -0.628907
H -7.026674 -0.961991 -2.225745
H 3.046984 -4.167632 -2.316965
H 4.812480 -0.619796 -1.894413
H -6.610694 -0.691609 2.088922
H 3.846387 -2.458578 1.595519
H 5.764478 2.003302 1.435762
H -5.320242 0.851609 -2.502474
H 0.680873 -3.351288 -2.185358
H 2.641361 0.569253 -2.216958
H -4.909355 1.125609 1.810240
H 1.480214 -1.661902 1.733545
H 3.573836 3.175888 1.130302
H -8.504196 -1.998317 1.068996
H -8.680013 -2.105181 -0.707063
H -7.442289 -3.075050 0.128785
H 5.774563 -3.065148 -0.259052
H 5.240965 -4.651134 0.342895
H 5.280229 -4.337752 -1.412304
H 7.036225 -0.737711 -0.884748
H 7.604084 0.593361 0.161398
H 6.737936 -0.785837 0.874827


