%chk=000029095.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029095

1 1
 S   -1.954000     -0.4772000      -2.472900    
 S   0.8882000      -1.263800     -3.0600000E-02
 N   -2.227500      0.5844000     -0.2206000    
 N    2.449900      0.8089000     -0.6956000    
 C   -3.444700     -2.2800000E-02 -0.4559000    
 C    3.338800     -0.1428000     -0.1252000    
 C   -1.335500      0.4437000      -1.176200    
 C    1.122300      0.3534000     -0.7166000    
 C   -3.477600     -0.6744000      -1.683500    
 C    2.647600      -1.318600      0.2866000    
 C   -4.579700     -3.0999999E-02  0.3970000    
 C    4.754500     -8.0399998E-02  7.8299999E-02
 C   3.1099999E-02  0.9821000      -1.185800    
 C   -1.846700       1.343800      0.9504000    
 C    2.883200       2.102000      -1.190800    
 C   -5.739900     -0.7194000     -3.8300000E-02
 C    5.384600      -1.209900      0.6893000    
 C   -4.620800      -1.356400      -2.118500    
 C    3.273600      -2.402000      0.8759000    
 C   -5.742200      -1.367200      -1.281700    
 C    4.642900      -2.338300       1.073800    
 C   -4.576100      0.6215000       1.647100    
 C    5.624000      0.9913000     -0.2627000    
 C   -2.444300       2.742500      0.9372000    
 C    3.034400       3.078000     -3.9900001E-02
 C   -6.869000     -0.7342000      0.7955000    
 C    6.769900      -1.226800      0.9242000    
 C   -5.711500      0.5912000       2.455600    
 C    7.002200      0.9580000     -2.0800000E-02
 C   -6.853500     -8.4200002E-02   2.031600    
 C    7.575800     -0.1513000      0.5730000    
 H   0.1089000       1.979400      -1.607500    
 H   -2.021300      0.7517000       1.852900    
 H  -0.7624000       1.483200       1.019500    
 H    3.760400       2.020600      -1.835500    
 H    2.138800       2.523900      -1.876400    
 H   -4.644800      -1.864700      -3.077400    
 H    2.719600      -3.284400       1.179700    
 H   -6.630900      -1.897400      -1.620700    
 H    5.134900      -3.191900       1.537900    
 H   -3.783100       1.160900       2.116400    
 H    5.288700       1.909900     -0.7159000    
 H   -1.903900       3.364700      0.2141000    
 H   -2.334700       3.214000       1.918800    
 H   -3.494400       2.781800      0.6389000    
 H    3.429400       4.031900     -0.4037000    
 H    3.693600       2.715500      0.7530000    
 H    2.061100       3.277500      0.4231000    
 H   -7.775000      -1.253900      0.4902000    
 H    7.242000      -2.090500       1.390200    
 H   -5.707500       1.091100       3.420300    
 H    7.620500       1.807200     -0.2980000    
 H   -7.735900     -0.1065000       2.664900    
 H    8.644000     -0.1820000      0.7633000    


%chk=000029095-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029095

1 1
S -1.581876 -1.816950 -0.444904
S 1.524363 -2.015994 -0.313301
N -2.364472 0.554223 0.416264
N 2.563854 0.397171 -0.044230
C -3.588662 -0.158207 0.205481
C 3.703906 -0.454956 -0.199583
C -1.202028 -0.134343 0.085436
C 1.329862 -0.244341 -0.028951
C -3.346182 -1.482893 -0.212304
C 3.318631 -1.794557 -0.412081
C -4.957465 0.296957 0.368333
C 5.115036 -0.116891 -0.168265
C 0.096249 0.409344 0.168738
C -2.266126 1.886203 1.081547
C 2.616857 1.888419 -0.048809
C -5.997302 -0.711012 0.196568
C 6.044108 -1.195310 -0.484884
C -4.361817 -2.450007 -0.411718
C 4.226819 -2.846396 -0.686888
C -5.675945 -2.058779 -0.179021
C 5.579415 -2.528198 -0.746386
C -5.384507 1.641807 0.638557
C 5.680794 1.155765 0.184202
C -2.187528 3.064884 0.090641
C 2.625032 2.508989 1.362585
C -7.371976 -0.348906 0.374930
C 7.452593 -0.934138 -0.506335
C -6.737124 1.961484 0.793130
C 7.062444 1.370637 0.166320
C -7.744387 0.959562 0.680775
C 7.961740 0.327108 -0.199045
H 0.153411 1.469656 0.417417
H -3.126962 1.979428 1.759469
H -1.375136 1.861964 1.733082
H 3.502095 2.185289 -0.630149
H 1.746793 2.244710 -0.627779
H -4.116284 -3.468018 -0.725175
H 3.872368 -3.866409 -0.856590
H -6.491455 -2.778921 -0.300540
H 6.315217 -3.305476 -0.976287
H -4.671180 2.462878 0.694212
H 5.053259 1.983049 0.512645
H -1.297402 2.995258 -0.558702
H -2.130943 4.016333 0.648377
H -3.070354 3.105310 -0.569153
H 2.672859 3.609484 1.284033
H 3.490912 2.169434 1.955381
H 1.716297 2.245142 1.931150
H -8.134086 -1.126388 0.252321
H 8.129886 -1.757478 -0.758725
H -7.024359 2.999133 0.991678
H 7.456989 2.352161 0.448454
H -8.798073 1.222555 0.813078
H 9.039844 0.512334 -0.216996


