%chk=000004927.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004927

0 1
 S    2.241800      -1.561000       1.013900    
 N  -1.2300000E-02  0.1035000     -0.3327000    
 N   -3.260500       1.808900      0.3947000    
 C   -2.127000      0.9162000      0.6435000    
 C   -1.176600      0.9701000     -0.5570000    
 C    1.262200      0.7227000     -0.2810000    
 C  -0.2439000      -1.293100     -0.2513000    
 C   -1.442700       1.342000       1.942500    
 C    2.369400      5.9300002E-02  0.2840000    
 C   0.7142000      -2.156200      0.3163000    
 C   -3.942800       1.433000     -0.8423000    
 C   -2.810300       3.198100      0.3299000    
 C    1.491800       2.007600     -0.8200000    
 C   -1.418600      -1.887200     -0.7624000    
 C    3.633000      0.6752000      0.3262000    
 C   0.4828000      -3.541400      0.3874000    
 C    2.750700       2.613000     -0.7799000    
 C   -1.641500      -3.265200     -0.6935000    
 C    3.821700       1.947400     -0.2032000    
 C  -0.6912000      -4.092900     -0.1150000    
 H   -2.526800     -8.9199997E-02  0.8112000    
 H   -1.634000      0.6840000      -1.509100    
 H  -0.8892000       2.002600     -0.7041000    
 H  -0.7926000       2.215600       1.826600    
 H   -2.170600       1.544600       2.736900    
 H  -0.8052000      0.5298000       2.311600    
 H   -4.157900      0.3589000     -0.8741000    
 H   -3.415300       1.722400      -1.757300    
 H   -4.917300       1.935200     -0.8759000    
 H   -3.700400       3.835500      0.2382000    
 H   -2.187100       3.454700     -0.5315000    
 H   -2.330200       3.552800       1.246000    
 H   0.7387000       2.574500      -1.356700    
 H   -2.194200      -1.303700      -1.249200    
 H    4.486100      0.1679000      0.7723000    
 H    1.217300      -4.207300      0.8361000    
 H    2.893200       3.598000      -1.215000    
 H   -2.557400      -3.686800      -1.097400    
 H    4.802100       2.412600     -0.1711000    
 H  -0.8598000      -5.163800     -5.8100000E-02


%chk=000004927-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004927

0 1
S 2.038713 -1.391364 1.513846
N 0.081546 0.245377 -0.165432
N -3.384420 1.816718 0.387499
C -2.155265 1.051931 0.725390
C -1.041485 1.186385 -0.373788
C 1.428787 0.719325 -0.245634
C -0.172138 -1.160437 -0.210614
C -1.598391 1.427569 2.113061
C 2.471907 0.035681 0.440299
C 0.691435 -2.068105 0.463912
C -4.229239 1.202106 -0.650605
C -3.237526 3.272965 0.219308
C 1.778355 1.861626 -1.017132
C -1.269325 -1.700664 -0.936190
C 3.808332 0.472652 0.363857
C 0.485063 -3.459657 0.400807
C 3.111361 2.324994 -1.060972
C -1.499604 -3.092961 -0.968420
C 4.133920 1.635448 -0.372759
C -0.623903 -3.981187 -0.305346
H -2.466500 -0.009425 0.770731
H -1.488371 1.075902 -1.385024
H -0.630899 2.207201 -0.308584
H -1.222654 2.467445 2.142710
H -2.390476 1.322302 2.873800
H -0.757034 0.763058 2.376516
H -4.376199 0.130668 -0.423825
H -3.823402 1.283023 -1.692329
H -5.223502 1.686896 -0.650834
H -4.240209 3.739690 0.213087
H -2.724509 3.578691 -0.727570
H -2.677111 3.701680 1.067011
H 1.011996 2.382227 -1.599601
H -1.941835 -1.033109 -1.483059
H 4.587449 -0.086748 0.892600
H 1.180484 -4.129532 0.917610
H 3.350233 3.215931 -1.652109
H -2.359511 -3.481664 -1.524990
H 5.169660 1.987455 -0.412571
H -0.796131 -5.061796 -0.335158


