%chk=000052336.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052336

0 1
 S   -2.679000      0.8002000       2.492300    
 S   -3.599600      -1.440900     -0.9058000    
 N   -1.485100     -0.1809000      0.2528000    
 N    4.041400      0.6593000      1.3000000E-02
 N   -2.808100       1.808300     -6.1999999E-02
 N   -1.176700      -2.528300     -0.1951000    
 C  -4.5000002E-02  3.8100000E-02  0.1902000    
 C    2.648400      0.4479000      7.3100001E-02
 C   -2.315400      0.8252000      0.8308000    
 C   -2.024600      -1.395700     -0.2653000    
 C    4.894600      0.2462000       1.109600    
 C    4.636800       1.305100      -1.140000    
 C   0.5229000      0.8064000       1.164600    
 C   0.6404000     -0.5393000     -0.8385000    
 C    1.900700       1.015900       1.104700    
 C    2.018200     -0.3299000     -0.8983000    
 C   -2.363500       1.902900      -1.452600    
 C   -3.672400       2.908500      0.3707000    
 C  -0.1723000      -2.701200      0.8565000    
 C   -1.343700      -3.692500      -1.065400    
 C    5.351300      -1.185500      0.9051000    
 C    4.665500       2.808200     -0.9398000    
 C   -1.172700       2.836200      -1.558000    
 C   -5.129700       2.505100      0.2531000    
 C  -0.7818000      -3.413200       2.048900    
 C  -0.5507000      -3.506200      -2.344700    
 H    4.387000      0.3338000       2.077000    
 H    5.775500      0.8968000       1.170000    
 H    4.096100       1.069200      -2.063700    
 H    5.661700      0.9440000      -1.288200    
 H  -3.0000000E-03   1.273900       1.982900    
 H   0.1739000      -1.050000      -1.667800    
 H    2.374000       1.634100       1.863300    
 H    2.583000     -0.7691000      -1.716600    
 H   -2.069800      0.9313000      -1.850900    
 H   -3.193800       2.261100      -2.071500    
 H   -3.446600       3.204200       1.398700    
 H   -3.485900       3.792400     -0.2490000    
 H   0.6736000      -3.272500      0.4568000    
 H   0.2269000      -1.809500       1.315200    
 H   -1.002000      -4.595400     -0.5475000    
 H   -2.394700      -3.858700      -1.312000    
 H    6.014500      -1.492700       1.719800    
 H    5.896700      -1.299000     -3.7599999E-02
 H    4.500000      -1.874300      0.8837000    
 H    5.135200       3.296800      -1.799300    
 H    5.232400       3.080600     -4.3400001E-02
 H    3.653900       3.213600     -0.8314000    
 H  -0.3464000       2.545800     -0.9084000    
 H  -0.8013000       2.853300      -2.587800    
 H   -1.445100       3.862500      -1.291400    
 H   -5.386900       2.252200     -0.7809000    
 H   -5.362700       1.634200      0.8732000    
 H   -5.777000       3.328800      0.5701000    
 H  -3.1700000E-02  -3.554500       2.834000    
 H   -1.169800      -4.400100       1.777700    
 H   -1.611300      -2.836400       2.472100    
 H  -0.6595000      -4.388900      -2.983400    
 H   0.5165000      -3.374800      -2.139800    
 H  -0.9040000      -2.641000      -2.914400    


%chk=000052336-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052336

0 1
S -3.015444 -0.190523 2.263027
S -3.367637 -1.242716 -1.717136
N -1.442116 -0.410249 0.028405
N 4.135302 0.901704 -0.027173
N -2.522397 1.697397 0.337328
N -1.373579 -2.725813 -0.545757
C -0.034417 -0.097170 0.018789
C 2.770641 0.576171 -0.012096
C -2.338830 0.422723 0.801997
C -1.998736 -1.507697 -0.689654
C 4.773667 1.596424 1.106992
C 4.995495 0.568329 -1.177981
C 0.589614 0.468278 1.158819
C 0.754003 -0.323185 -1.137291
C 1.954610 0.807364 1.142526
C 2.123208 -0.003589 -1.152273
C -2.126182 2.140154 -1.029395
C -3.338010 2.660832 1.119742
C -0.532027 -3.093457 0.629209
C -1.703355 -3.838316 -1.476218
C 5.250865 0.647029 2.232590
C 4.974297 1.632121 -2.302448
C -0.946151 3.134397 -1.036584
C -4.846564 2.522935 0.822155
C -1.353543 -3.805593 1.725818
C -0.905671 -3.748371 -2.793188
H 4.078122 2.353210 1.516992
H 5.640027 2.161527 0.714024
H 4.706078 -0.419821 -1.583130
H 6.030673 0.452879 -0.804603
H 0.000047 0.635185 2.067081
H 0.288789 -0.742260 -2.036160
H 2.388253 1.230639 2.052783
H 2.682217 -0.182366 -2.075139
H -1.902542 1.242164 -1.625392
H -3.020330 2.607320 -1.485688
H -3.152158 2.466728 2.190687
H -2.980417 3.677437 0.873030
H 0.286633 -3.741703 0.262011
H -0.068309 -2.190189 1.048805
H -1.479780 -4.783855 -0.951279
H -2.786401 -3.803735 -1.687599
H 5.720115 1.221390 3.053222
H 5.995288 -0.073604 1.848093
H 4.407548 0.070336 2.650367
H 5.643431 1.336016 -3.131984
H 5.313748 2.611743 -1.919856
H 3.955634 1.762887 -2.707313
H -0.034481 2.671382 -0.625346
H -0.738244 3.447485 -2.076252
H -1.171263 4.044940 -0.451185
H -5.067018 2.694185 -0.246757
H -5.192361 1.512467 1.095892
H -5.414557 3.262328 1.415504
H -0.687499 -4.097099 2.559305
H -1.845458 -4.719737 1.346321
H -2.125315 -3.120069 2.116204
H -1.153835 -4.605205 -3.445987
H 0.183449 -3.758912 -2.605194
H -1.167825 -2.821269 -3.332257


