%chk=000051753.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051753

0 1
 S  -0.8079000       1.516900      4.8599999E-02
 S    2.214400     -0.9975000      -1.969400    
 N   -3.798900       1.748000     -0.6080000    
 C   0.4212000      0.3313000      0.7253000    
 C  -1.4100000E-02  -1.112800      0.5623000    
 C    1.848100      0.7158000      0.3464000    
 C  -6.4300001E-02  -1.761700     -0.6834000    
 C    2.621600      0.2391000     -0.7329000    
 C   0.4127000      -1.084400      -1.932000    
 C   -2.198300       1.046400       1.097700    
 C  -0.4255000      -1.825800       1.706700    
 C   -3.411900       1.914800      0.7897000    
 C    2.433700       1.699800       1.189600    
 C  -0.5166000      -3.092200     -0.7579000    
 C    3.933900      0.7430000     -0.9062000    
 C  -0.8735000      -3.143800       1.619700    
 C  -0.9208000      -3.777300      0.3853000    
 C    3.724800       2.186100      0.9953000    
 C    4.478900       1.703800     -5.7200000E-02
 C   -4.941900       2.603100     -0.9300000    
 C   -4.115600      0.3475000     -0.8898000    
 H   0.3739000      0.5157000       1.807800    
 H   0.1021000      -1.663100      -2.809900    
 H  -3.0800000E-02 -9.7700000E-02  -2.076900    
 H   -2.440000     -1.5300000E-02   1.021100    
 H   -1.912400       1.227700       2.140400    
 H  -0.4059000      -1.353200       2.686500    
 H   -4.232400       1.641700       1.466400    
 H   -3.170500       2.966300      0.9943000    
 H    1.867600       2.106300       2.027300    
 H  -0.5489000      -3.607800      -1.715000    
 H    4.562300      0.3888000      -1.723500    
 H   -1.186300      -3.671500       2.515700    
 H   -1.267100      -4.803700      0.3113000    
 H    4.132300       2.936800       1.665200    
 H    5.487500       2.069400     -0.2229000    
 H   -4.698600       3.655800     -0.7470000    
 H   -5.829700       2.346300     -0.3406000    
 H   -5.196900       2.522500      -1.992500    
 H   -3.225000     -0.2871000     -0.9180000    
 H   -4.553600      0.2530000      -1.891300    
 H   -4.834800     -7.1400002E-02 -0.1763000    


%chk=000051753-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051753

0 1
S -0.914439 1.305880 -0.050738
S 2.170339 -0.992686 -2.046277
N -3.884290 1.974230 -0.630740
C 0.446669 0.180131 0.797557
C 0.112286 -1.299665 0.705719
C 1.810477 0.694877 0.342150
C 0.023999 -2.016182 -0.525214
C 2.573497 0.293878 -0.794695
C 0.314354 -1.317095 -1.824256
C -2.400813 0.737254 0.983335
C -0.154469 -1.993057 1.914349
C -3.561116 1.723297 0.789332
C 2.364412 1.715718 1.170714
C -0.323587 -3.388507 -0.510796
C 3.841742 0.891129 -1.042621
C -0.497562 -3.363452 1.921742
C -0.585277 -4.066787 0.700322
C 3.615907 2.307193 0.925431
C 4.367148 1.881856 -0.194926
C -4.811693 3.109422 -0.799535
C -4.317989 0.773214 -1.369383
H 0.354374 0.464239 1.860312
H 0.063311 -1.940603 -2.697790
H -0.203363 -0.346571 -1.900529
H -2.666210 -0.291701 0.689797
H -2.095686 0.728147 2.045314
H -0.084241 -1.450529 2.865466
H -4.445495 1.326755 1.360122
H -3.287296 2.693657 1.244483
H 1.775490 2.048640 2.034344
H -0.382588 -3.930631 -1.462369
H 4.411217 0.573178 -1.923726
H -0.693434 -3.874420 2.870822
H -0.852585 -5.129186 0.690169
H 3.999294 3.085008 1.593858
H 5.345922 2.322376 -0.413712
H -4.390076 4.009635 -0.317786
H -5.827033 2.925116 -0.363220
H -4.938721 3.326984 -1.874912
H -3.519001 0.012339 -1.364541
H -4.510422 1.045041 -2.422197
H -5.250251 0.311478 -0.953477


