%chk=000047690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047690

0 1
 O   -1.182200       2.267000       1.614600    
 N   -1.549100       1.303300     -0.4762000    
 N   0.9006000     -0.2861000     -0.6145000    
 N   -4.521500     -0.6870000      0.5430000    
 C  -0.9907000      0.9364000      -1.773400    
 C  -0.1413000     -0.3256000      -1.664100    
 C   -2.958100       1.021300     -0.2497000    
 C    1.450100      0.9825000     -0.3068000    
 C   0.6797000       2.031700      0.2368000    
 C  -0.7671000       1.877900      0.5251000    
 C   -3.116900     -0.3966000      0.2841000    
 C    1.458600      -1.528100     -0.2037000    
 C    2.824400       1.220200     -0.5101000    
 C    1.269500       3.257600      0.5789000    
 C    3.406600       2.446300     -0.1820000    
 C    2.629900       3.462600      0.3642000    
 C    2.183800      -1.619400      0.9916000    
 C    1.289700      -2.676600     -0.9882000    
 C   -4.676800      -2.035100       1.092900    
 C   -5.312200     -0.5444000     -0.6809000    
 C    2.730200      -2.837600       1.395400    
 C    1.836300      -3.894900     -0.5844000    
 C    2.556500      -3.975400      0.6074000    
 H  -0.3943000       1.775900      -2.150800    
 H   -1.797000      0.7815000      -2.499100    
 H  -0.8209000      -1.164900      -1.481000    
 H   0.3359000     -0.4949000      -2.638300    
 H   -3.347900       1.737200      0.4844000    
 H   -3.480900       1.203500      -1.192600    
 H   -2.704000      -1.123600     -0.4236000    
 H   -2.540000     -0.4950000       1.212900    
 H    3.458500      0.4459000     -0.9377000    
 H   0.6772000       4.062900       1.006100    
 H    4.467700       2.604500     -0.3512000    
 H    3.083800       4.414600      0.6234000    
 H    2.321000     -0.7563000       1.638100    
 H   0.7584000      -2.666200      -1.935000    
 H   -4.108500      -2.138700       2.024000    
 H   -4.338300      -2.808600      0.3938000    
 H   -5.725200      -2.230900       1.344000    
 H   -4.886200      -1.101400      -1.523500    
 H   -5.439200      0.5042000     -0.9660000    
 H   -6.332000     -0.9158000     -0.5208000    
 H    3.287600      -2.901500       2.325400    
 H    1.705700      -4.780100      -1.200000    
 H    2.982200      -4.923800      0.9216000    


%chk=000047690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047690

0 1
O -1.387164 2.190903 1.544454
N -1.547209 1.273334 -0.592734
N 0.970515 -0.280584 -0.776037
N -4.712342 -0.585911 0.449417
C -0.886814 0.983976 -1.879594
C -0.044731 -0.301832 -1.853497
C -2.994030 1.021839 -0.408644
C 1.498446 0.971626 -0.306748
C 0.659773 1.982886 0.258686
C -0.825326 1.818269 0.463721
C -3.265540 -0.337458 0.287100
C 1.586591 -1.510866 -0.412163
C 2.900891 1.202842 -0.372178
C 1.245816 3.173186 0.760747
C 3.464509 2.397036 0.116045
C 2.634818 3.392401 0.688285
C 2.270030 -1.637987 0.834532
C 1.488294 -2.661449 -1.247982
C -5.027435 -1.460704 1.596894
C -5.372394 -1.037509 -0.790056
C 2.838072 -2.866696 1.218558
C 2.055784 -3.891215 -0.845835
C 2.737819 -4.007585 0.384552
H -0.254600 1.843147 -2.171536
H -1.662554 0.872608 -2.657501
H -0.705873 -1.173662 -1.687153
H 0.431415 -0.425161 -2.854320
H -3.412818 1.818509 0.228834
H -3.483885 1.067502 -1.397893
H -2.756449 -1.160478 -0.279613
H -2.799374 -0.292274 1.286923
H 3.541590 0.425958 -0.801961
H 0.583512 3.906547 1.232240
H 4.547143 2.551851 0.048711
H 3.068066 4.319599 1.077343
H 2.334946 -0.775934 1.505351
H 0.988486 -2.602949 -2.219321
H -4.588631 -1.037754 2.517057
H -4.648079 -2.507484 1.478917
H -6.123043 -1.510909 1.733962
H -5.005735 -2.035933 -1.144693
H -5.212512 -0.308106 -1.603444
H -6.461759 -1.114331 -0.623536
H 3.349947 -2.937822 2.185169
H 1.968051 -4.760503 -1.508028
H 3.177384 -4.962419 0.691070


