%chk=000147828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147828

0 1
 S    1.568300       2.026000      -1.098600    
 S    1.666700      -2.981100      0.4915000    
 N   -3.770400       1.426000       1.002300    
 N    5.394900       1.514400      0.1680000    
 N  -0.9643000       1.344900     -0.5959000    
 N   0.6677000     -0.4275000     -0.5515000    
 C   -3.243300      0.9603000     -0.1784000    
 C    4.245500       2.130700     -0.4936000    
 C   -1.910700      0.4308000     -0.2973000    
 C    3.004700       1.272400     -0.2813000    
 C   -4.215100       1.107100      -1.150000    
 C   -1.648900     -0.9114000     -0.1133000    
 C  -0.3287000      -1.287100     -0.2543000    
 C   -5.052900       1.864300      0.7981000    
 C   0.2793000      0.8492000     -0.7046000    
 C   -5.355800       1.677100     -0.5325000    
 C   -3.093100       1.459600       2.280900    
 C    5.136100       1.354600       1.598500    
 C    6.599100       2.315900     -4.6999998E-02
 C   8.6099997E-02  -2.654900     -8.7600000E-02
 C  -0.6192000      -3.816700     -0.3312000    
 C   0.1459000      -4.982500     -3.9000001E-02
 C    1.408200      -4.672100      0.4170000    
 H    4.449500       2.209300      -1.569400    
 H    4.077200       3.148200     -0.1148000    
 H    2.731900       1.186600      0.7736000    
 H    3.172700      0.2685000     -0.6863000    
 H   -2.436000      -1.614800      0.1336000    
 H   -4.114700      0.8336000      -2.191700    
 H   -5.645100       2.270700       1.607000    
 H   -6.295700       1.924700      -1.005400    
 H   -3.746500       1.915300       3.029400    
 H   -2.856400      0.4340000       2.575000    
 H   -2.183100       2.056100       2.177700    
 H    4.428800      0.5439000       1.798900    
 H    4.776500       2.277700       2.067800    
 H    6.054000       1.056300       2.120200    
 H    7.472900       1.826400      0.3973000    
 H    6.510300       3.320400      0.3827000    
 H    6.809500       2.416100      -1.117800    
 H   -1.634800      -3.843400     -0.7063000    
 H  -0.2108000      -5.997200     -0.1585000    
 H    2.191000      -5.357600      0.7095000    


%chk=000147828-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147828

0 1
S 1.264423 2.690810 -0.746316
S 2.347056 -2.554676 -0.343470
N -3.935560 2.032195 0.337534
N 5.127456 1.463602 0.290902
N -1.068982 1.537274 -0.144197
N 0.814221 0.003804 -0.323564
C -3.328480 0.756778 0.378722
C 3.709133 1.866402 0.449543
C -1.915629 0.486426 0.140560
C 2.988902 1.930104 -0.909572
C -4.350963 -0.177792 0.689786
C -1.407226 -0.846351 0.197739
C -0.030492 -1.055148 -0.042381
C -5.287925 1.890974 0.613726
C 0.241168 1.231202 -0.358147
C -5.574642 0.531435 0.836442
C -3.306403 3.337251 0.055694
C 5.296853 0.033846 -0.042731
C 5.956669 1.857306 1.448559
C 0.574758 -2.384859 -0.009857
C -0.001367 -3.629336 0.246355
C 0.926264 -4.725006 0.185863
C 2.221141 -4.325446 -0.118068
H 3.692645 2.872953 0.906890
H 3.143138 1.182367 1.129942
H 2.845859 0.934671 -1.356947
H 3.531503 2.587141 -1.608707
H -2.068634 -1.684389 0.419529
H -4.216550 -1.252819 0.797363
H -5.945221 2.758594 0.631625
H -6.551760 0.116082 1.074847
H -4.090930 4.111181 0.104057
H -2.516718 3.558004 0.789367
H -2.838727 3.339445 -0.940136
H 4.750282 -0.213981 -0.967864
H 4.928448 -0.649547 0.763888
H 6.367399 -0.178188 -0.215601
H 7.017097 1.627017 1.238814
H 5.674244 1.335641 2.398601
H 5.871282 2.945603 1.617084
H -1.062078 -3.761580 0.473430
H 0.645011 -5.766088 0.360397
H 3.114637 -4.938100 -0.227000


