%chk=000042938.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042938

0 1
 O    3.101400      8.1000002E-03  2.7899999E-02
 O    3.956500      -2.147400      0.2088000    
 O   -6.284700       1.035000     -0.2517000    
 O   -5.026300       2.833200     -0.2076000    
 N  -0.5902000      -1.627300      0.4421000    
 N   0.6319000      -1.069300      0.5456000    
 N   -5.160900       1.586400     -0.1642000    
 N   0.8508000      -4.045900     -0.8679000    
 C    4.284100       2.087700     -7.1099997E-02
 C    5.652700       2.762600     -8.2500003E-02
 C    4.404600      0.5743000      3.7799999E-02
 C    5.529200       4.270200     -0.2348000    
 C   -1.732100     -0.8245000      0.2906000    
 C   -4.006200      0.7745000     -1.0900000E-02
 C   -2.997100      -1.411600      0.1907000    
 C   -1.612000      0.5674000      0.2393000    
 C   -4.131500     -0.6138000      4.0300000E-02
 C   -2.746400       1.365200      8.8699996E-02
 C    3.055200      -1.337900      0.1191000    
 C    1.626300      -1.761900      9.6199997E-02
 C    1.194700      -3.025100     -0.4364000    
 H    3.728200       2.341200     -0.9826000    
 H    3.680000       2.466500      0.7628000    
 H    6.187300       2.536100      0.8473000    
 H    6.256200       2.368100     -0.9082000    
 H    4.979000      0.1812000     -0.8095000    
 H    4.913500      0.3046000      0.9709000    
 H    5.029000       4.530300      -1.173200    
 H    4.955900       4.702200      0.5917000    
 H    6.520900       4.733200     -0.2390000    
 H   -3.109000      -2.492400      0.2285000    
 H  -0.6469000       1.061800      0.3132000    
 H   -5.096600      -1.108600     -3.4000002E-02
 H   -2.611100       2.443200      5.2700002E-02
 H  -0.7450000      -2.618100      0.5932000    


%chk=000042938-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042938

0 1
O 3.087334 -0.052153 -0.001204
O 4.064001 -2.178012 0.049878
O -6.369308 1.165659 0.060638
O -5.023430 3.009099 -0.013272
N -0.634494 -1.645025 0.081588
N 0.614955 -1.139479 0.053965
N -5.206774 1.730339 0.028687
N 1.230236 -4.569119 0.136852
C 4.266573 2.072820 -0.065007
C 5.623275 2.817335 -0.087211
C 4.457342 0.558218 -0.026450
C 5.448319 4.350383 -0.125495
C -1.754971 -0.784975 0.067838
C -4.012756 0.859155 0.042076
C -3.050456 -1.366948 0.100985
C -1.591881 0.625616 0.021562
C -4.186639 -0.542217 0.088335
C -2.727377 1.449254 0.008600
C 3.051812 -1.433374 0.037275
C 1.660690 -1.971096 0.065976
C 1.500591 -3.402665 0.105001
H 3.675159 2.343993 -0.960423
H 3.679815 2.389492 0.818457
H 6.215398 2.535143 0.806836
H 6.211630 2.490152 -0.968280
H 4.990419 0.175329 -0.916279
H 5.001749 0.222539 0.875489
H 4.889798 4.664481 -1.026942
H 4.888732 4.708353 0.758818
H 6.426132 4.864688 -0.137610
H -3.167601 -2.456284 0.136753
H -0.583535 1.044808 -0.002743
H -5.196889 -0.957940 0.113375
H -2.640657 2.538221 -0.026723
H -0.795794 -2.666591 0.112455


