%chk=000054906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054906

0 1
 S    3.189000      0.1844000       1.918600    
 S    6.133200     -0.2303000       1.320600    
 N   -1.327500       1.196100     -0.5648000    
 N   -3.528600       1.445400      0.3680000    
 N    4.196600      0.2839000     -0.4536000    
 N   -3.988500       2.691400      0.3708000    
 N   -5.618300       1.235300     -7.0299998E-02
 N   -5.281200       2.559200      9.9100001E-02
 C   -2.111400       1.190500      0.6355000    
 C   6.7000002E-02  0.9688000     -0.5668000    
 C    2.111600      0.5050000      0.6111000    
 C   0.7256000      0.7274000      0.6415000    
 C    2.835800      0.5198000     -0.5848000    
 C   -4.504600      0.5614000      0.1028000    
 C   0.7660000      0.9884000      -1.768700    
 C    2.145800      0.7662000      -1.791600    
 C   -4.335800     -0.8672000      2.7300000E-02
 C    4.490000      9.5600002E-02  0.8118000    
 C   -4.015500      -1.470600      -1.190100    
 C   -4.491600      -1.651600       1.171500    
 C   -3.851500      -2.853900      -1.263000    
 C   -4.327700      -3.034800       1.098500    
 C   -4.007600      -3.636100     -0.1187000    
 C    7.051700     -0.2069000     -0.2525000    
 C    8.502200     -0.4722000     -6.3999998E-03
 C    9.175300      -1.495000     -0.5459000    
 H   -2.053200      0.2276000       1.154600    
 H   -1.786300       1.976100       1.328800    
 H   -1.775300       1.363300      -1.459300    
 H   0.2093000      0.7061000       1.595500    
 H   0.2487000       1.176700      -2.706600    
 H    2.682300      0.7838000      -2.736100    
 H   -3.889300     -0.8748000      -2.091100    
 H   -4.740600      -1.198400       2.128100    
 H   -3.601800      -3.322000      -2.210600    
 H   -4.449000      -3.643900       1.989500    
 H   -3.879700      -4.713100     -0.1753000    
 H    6.621000     -0.9524000     -0.9296000    
 H    6.943300      0.7788000     -0.7171000    
 H    9.045300      0.2252000      0.6273000    
 H    10.23190      -1.626600     -0.3398000    
 H    8.690000      -2.214000      -1.196600    


%chk=000054906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054906

0 1
S 3.043521 -0.850280 1.925536
S 5.918578 -1.795147 1.101399
N -1.140782 1.673924 -0.305561
N -3.423472 1.663604 0.462537
N 4.104732 -0.445095 -0.527954
N -4.089775 2.912747 0.425397
N -5.540340 1.249300 -0.079515
N -5.362227 2.632633 0.096546
C -2.010543 1.652981 0.862890
C 0.170680 1.160941 -0.332586
C 2.063125 0.005454 0.658183
C 0.763486 0.525230 0.795344
C 2.810530 0.113439 -0.557104
C -4.324828 0.660954 0.145815
C 0.914783 1.275828 -1.551035
C 2.215862 0.765433 -1.663582
C -4.085951 -0.786689 0.076424
C 4.389397 -0.975058 0.638679
C -2.808503 -1.340672 -0.212955
C -5.195594 -1.653534 0.281503
C -2.644509 -2.741150 -0.271068
C -5.022808 -3.049975 0.220676
C -3.745993 -3.599118 -0.049541
C 6.861444 -1.630225 -0.572259
C 7.482428 -0.275130 -0.741233
C 8.821256 -0.051855 -0.769085
H -1.820313 0.738785 1.449571
H -1.880324 2.532900 1.523244
H -1.400737 2.335330 -1.039592
H 0.241957 0.458914 1.753836
H 0.449559 1.765689 -2.414570
H 2.778571 0.857957 -2.596997
H -1.958216 -0.689619 -0.438660
H -6.177323 -1.213719 0.482504
H -1.658689 -3.159281 -0.500057
H -5.881075 -3.710479 0.383045
H -3.613399 -4.685505 -0.095147
H 7.603284 -2.444360 -0.534279
H 6.096569 -1.836773 -1.337860
H 6.776725 0.556349 -0.864967
H 9.228691 0.954242 -0.916408
H 9.546824 -0.866369 -0.649512


