%chk=000063199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063199

0 1
 O  -0.2108000      -2.064500      7.9599999E-02
 N   0.2879000      0.2376000      5.5000000E-02
 N   -1.504700       1.800100     -1.9400001E-02
 C    1.701700     -1.4900000E-02 -9.9999997E-05
 C    2.334500     -0.1310000      -1.233600    
 C    2.426700     -0.1418000       1.180500    
 C  -0.2363000       1.532300      3.7999999E-02
 C  -0.5634000     -0.8874000      8.2599998E-02
 C   -2.010800     -0.5901000      4.7800001E-02
 C   -2.418700      0.7417000     -2.6699999E-02
 C    3.706700     -0.3767000      -1.287100    
 C    3.798700     -0.3874000       1.127000    
 C    1.577700      1.6000000E-03  -2.515500    
 C    1.769700     -2.0900000E-02   2.517400    
 C    4.438600     -0.5049000     -0.1068000    
 C   0.6857000       2.729400      0.1490000    
 C   -2.952400      -1.625900      6.3299999E-02
 C   -3.787400       1.028900     -8.5400000E-02
 C   -4.312700      -1.326200      4.9000001E-03
 C   -4.730600      1.9999999E-04 -7.0600003E-02
 H    4.221600     -0.4709000      -2.239500    
 H    4.384800     -0.4902000       2.036500    
 H    2.230900     -0.1196000      -3.386800    
 H   0.8011000     -0.7667000      -2.586500    
 H    1.117400      0.9915000      -2.593900    
 H    2.492400     -0.1246000       3.334400    
 H    1.291200      0.9550000       2.637000    
 H    1.020900     -0.8088000       2.649100    
 H    5.507000     -0.6961000     -0.1484000    
 H    1.438100       2.703300     -0.6432000    
 H    1.191500       2.722700       1.117200    
 H   0.1194000       3.661300      5.8200002E-02
 H   -2.647400      -2.667200      0.1177000    
 H   -4.128300       2.060200     -0.1396000    
 H   -5.046200      -2.127000      1.6500000E-02
 H   -5.790100      0.2346000     -0.1160000    


%chk=000063199-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063199

0 1
O -0.093877 -2.080831 -0.003508
N 0.278668 0.240105 0.006521
N -1.522367 1.844744 0.032665
C 1.720605 0.001298 -0.010551
C 2.378854 -0.106340 -1.263598
C 2.405299 -0.130580 1.225908
C -0.227248 1.560731 0.020132
C -0.581623 -0.913080 0.007239
C -2.020213 -0.590649 0.020671
C -2.440622 0.777863 0.032251
C 3.780680 -0.307955 -1.259121
C 3.806750 -0.331725 1.187902
C 1.602028 -0.043549 -2.564671
C 1.655693 -0.093260 2.543716
C 4.491630 -0.413085 -0.043933
C 0.767393 2.696890 0.020393
C -2.982448 -1.634490 0.021235
C -3.831912 1.075652 0.043759
C -4.352476 -1.325683 0.032698
C -4.774692 0.034627 0.043834
H 4.310620 -0.392767 -2.214717
H 4.356803 -0.434482 2.130269
H 2.282517 -0.084573 -3.431484
H 0.902566 -0.896833 -2.640055
H 0.996595 0.878168 -2.649864
H 2.354290 -0.140331 3.395662
H 1.043710 0.821334 2.654248
H 0.965683 -0.954117 2.620838
H 5.576031 -0.569284 -0.057014
H 1.416301 2.673166 -0.873504
H 1.435239 2.656517 0.899551
H 0.202287 3.639670 0.034919
H -2.623812 -2.669031 0.012292
H -4.132573 2.127611 0.052313
H -5.097279 -2.128485 0.033048
H -5.844700 0.270354 0.052556


