%chk=000046289.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046289

0 1
 N   0.4624000     -0.3983000      1.5400000E-02
 C    4.268700     -0.4658000      0.1090000    
 C    5.379100      0.5587000     -0.1411000    
 C    2.859900      0.1094000     -5.7799999E-02
 C    6.784900      3.5000001E-03  9.7499996E-02
 C    1.797000     -0.9653000      0.1694000    
 C    7.852600       1.063200     -0.1783000    
 C  -0.5609000      -1.406500      0.2530000    
 C   -5.882600      0.7410000     -0.3677000    
 C   -1.948800     -0.8460000      9.0899996E-02
 C   -4.507800      0.1862000     -0.2073000    
 C   -2.596600     -0.2981000       1.189100    
 C   -2.560600     -0.8860000      -1.153900    
 C   -3.882800      0.2207000       1.039200    
 C   -3.846700     -0.3672000      -1.303900    
 C    9.253500      0.5085000      2.5599999E-02
 C   -6.923500     -8.1000002E-03  0.4858000    
 C   -5.947800       2.250100     -6.4999998E-02
 H    4.374300     -0.8671000       1.124700    
 H    4.402000      -1.309400     -0.5798000    
 H    5.301500      0.9237000      -1.172800    
 H    5.220000       1.424900      0.5134000    
 H    2.718800      0.9338000      0.6524000    
 H    2.754700      0.5295000      -1.066000    
 H    6.870800     -0.3471000       1.133100    
 H    6.949000     -0.8642000     -0.5527000    
 H    1.916800      -1.385500       1.175600    
 H    1.944500      -1.776300     -0.5540000    
 H    7.704500       1.922600      0.4858000    
 H    7.758300       1.428200      -1.207700    
 H   0.3453000      0.3712000      0.6747000    
 H  -0.4356000      -2.247800     -0.4415000    
 H  -0.4608000      -1.828100       1.262100    
 H   -6.193900      0.6203000      -1.414300    
 H   -2.118000     -0.2648000       2.163700    
 H   -2.054100      -1.313300      -2.014800    
 H   -4.378700      0.6472000       1.906700    
 H   -4.318800     -0.4018000      -2.282100    
 H    10.00070       1.282600     -0.1757000    
 H    9.444800     -0.3320000     -0.6490000    
 H    9.391900      0.1620000       1.054700    
 H   -6.905800      -1.081600      0.2673000    
 H   -7.932300      0.3618000      0.2725000    
 H   -6.741800      0.1190000       1.558400    
 H   -5.727400       2.467100      0.9857000    
 H   -6.946800       2.642400     -0.2839000    
 H   -5.227800       2.801600     -0.6799000    


%chk=000046289-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046289

0 1
N 0.507619 -0.394248 0.382258
C 4.380150 -0.482432 0.287654
C 5.451088 0.450674 -0.321275
C 2.937530 0.006588 0.030533
C 6.898521 -0.027224 -0.067791
C 1.865769 -0.914334 0.644825
C 7.966776 0.912794 -0.671990
C -0.593800 -1.215641 0.929465
C -5.927676 0.884888 -0.580269
C -1.961218 -0.658224 0.549344
C -4.550626 0.344465 -0.183007
C -3.040247 -0.688145 1.467676
C -2.189998 -0.114242 -0.738843
C -4.314578 -0.199366 1.106562
C -3.464886 0.378168 -1.094877
C 9.410843 0.432185 -0.411895
C -7.008150 -0.229385 -0.559627
C -6.353305 2.081071 0.312587
H 4.552713 -0.571981 1.380758
H 4.503422 -1.503132 -0.131373
H 5.280227 0.539257 -1.414553
H 5.325079 1.472095 0.095745
H 2.821181 1.030457 0.447054
H 2.751416 0.086977 -1.058217
H 7.069757 -0.118990 1.025455
H 7.029176 -1.046450 -0.488505
H 2.076762 -1.044113 1.738357
H 1.940451 -1.922822 0.189048
H 7.833363 1.931236 -0.252833
H 7.796327 1.002495 -1.764404
H 0.415904 0.591240 0.667439
H -0.476484 -2.236941 0.509046
H -0.544955 -1.334107 2.041770
H -5.850544 1.256343 -1.622445
H -2.880471 -1.095661 2.474355
H -1.353519 -0.076336 -1.444935
H -5.129426 -0.234887 1.840372
H -3.622477 0.796385 -2.097530
H 10.154160 1.121499 -0.853276
H 9.579308 -0.570799 -0.847935
H 9.616058 0.363415 0.673272
H -6.728530 -1.068361 -1.221903
H -7.984671 0.168245 -0.894091
H -7.140346 -0.634915 0.460862
H -6.461684 1.769226 1.368229
H -7.325843 2.489694 -0.020322
H -5.604063 2.892240 0.275730


