%chk=000001316.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001316

1 1
 N    2.961100      2.2200000E-02 -1.7999999E-02
 N   6.5499999E-02  3.2499999E-02 -9.2799999E-02
 C    2.177700     -0.8491000     -0.9993000    
 C    2.152600       1.279300      0.3039000    
 C   0.7858000      -1.183700     -0.4741000    
 C   0.7615000      0.9391000      0.8260000    
 C    4.269000      0.4515000     -0.6934000    
 C    3.332900     -0.7487000       1.246700    
 C   -1.334200      2.1100000E-02 -5.5399999E-02
 C   -2.041100      -1.159500      0.2459000    
 C   -2.075600       1.189700     -0.3170000    
 C   -3.435400      -1.170900      0.2841000    
 C   -3.470000       1.178400     -0.2786000    
 C   -4.149800     -2.0000001E-03  2.1900000E-02
 H    2.761700      -1.758000      -1.182600    
 H    2.100700     -0.2844000      -1.936900    
 H    2.075500       1.857100     -0.6255000    
 H    2.719300       1.864200       1.037100    
 H   0.2525000      -1.709000      -1.276600    
 H   0.8487000      -1.871200      0.3773000    
 H   0.8142000      0.4832000       1.821600    
 H   0.2170000       1.882700      0.9488000    
 H    4.842700     -0.4478000     -0.9369000    
 H    4.026200       1.006900      -1.604200    
 H    4.824700       1.086300      3.1999999E-03
 H    2.427300      -1.074700       1.760800    
 H    3.931600      -1.617100      0.9560000    
 H    3.913200     -8.5299999E-02   1.895000    
 H   -1.518900      -2.086300      0.4695000    
 H   -1.568100       2.118700     -0.5671000    
 H   -3.965200      -2.088900      0.5211000    
 H   -4.026600       2.087700     -0.4858000    
 H   -5.235400     -1.0800000E-02  5.1700000E-02


%chk=000001316-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001316

1 1
N 3.011941 0.025080 -0.021977
N 0.065614 0.032517 -0.103379
C 2.180073 -0.936950 -0.905523
C 2.160318 1.287705 0.266196
C 0.788184 -1.224951 -0.321393
C 0.775759 0.932521 0.822371
C 4.267774 0.438015 -0.785055
C 3.432504 -0.655492 1.277797
C -1.377345 0.009834 -0.058169
C -2.100520 -1.207365 0.046231
C -2.094606 1.232848 -0.154347
C -3.513985 -1.195747 0.049097
C -3.503735 1.235639 -0.130788
C -4.223652 0.021470 -0.031992
H 2.771186 -1.861708 -1.022326
H 2.074071 -0.437581 -1.883106
H 2.051459 1.810343 -0.698917
H 2.738261 1.913479 0.967720
H 0.253601 -1.827478 -1.076053
H 0.864230 -1.856046 0.597064
H 0.853860 0.500780 1.849182
H 0.216755 1.875485 0.930640
H 4.865805 -0.458972 -1.009018
H 3.974147 0.933340 -1.722807
H 4.854918 1.132561 -0.164303
H 2.545364 -0.966060 1.844681
H 4.043802 -1.538226 1.034701
H 4.023816 0.054873 1.875963
H -1.582521 -2.167317 0.143931
H -1.559048 2.180470 -0.284641
H -4.058023 -2.142887 0.128613
H -4.041115 2.186483 -0.210703
H -5.317794 0.026539 -0.023288


