%chk=000002946.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002946

0 1
 O    3.154500     -0.7235000      7.0200004E-02
 O    1.789700      -3.059000     -3.2900002E-02
 N   -2.425600     -0.6518000     -1.6100001E-02
 N    1.413800       1.788700     -2.9000000E-03
 C  -0.2737000      0.3912000     -2.5599999E-02
 C  -0.8171000       1.680500     -8.7700002E-02
 C   -2.283300       1.877100     -0.1901000    
 C   -3.033200      0.6507000      0.3832000    
 C   -1.024600     -0.8180000     -2.5599999E-02
 C    1.091000      0.4541000      4.8000002E-03
 C   0.2563000       2.545300     -6.5800004E-02
 C  -0.3417000      -1.984000     -3.4499999E-02
 C    1.934800     -0.6996000      2.7400000E-02
 C   -3.347600      -1.783800     -5.8899999E-02
 C    1.159700      -2.011300     -1.6600000E-02
 C    2.747100       2.343500      7.0900001E-02
 H   -2.598300       2.784400      0.3364000    
 H   -2.547100       1.997900      -1.248000    
 H   -3.026600      0.6999000       1.479900    
 H   -4.080900      0.7055000      6.4900003E-02
 H   0.3008000       3.625800     -9.6600004E-02
 H  -0.8373000      -2.948300     -3.6600001E-02
 H   -3.357500      -2.301500      0.9058000    
 H   -3.060100      -2.494300     -0.8413000    
 H   -4.369900      -1.462200     -0.2842000    
 H    2.690500       3.434900      7.9999998E-02
 H    3.217800       1.990500      0.9919000    
 H    3.307700       2.009300     -0.8056000    


%chk=000002946-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002946

0 1
O 3.186123 -0.718096 0.053286
O 1.739864 -3.155482 -0.008518
N -2.454040 -0.644362 -0.062439
N 1.438761 1.841473 0.023911
C -0.313748 0.425654 -0.000047
C -0.840744 1.739462 -0.064524
C -2.333007 1.906584 -0.209408
C -3.037855 0.656700 0.389329
C -1.074895 -0.811971 -0.035927
C 1.087732 0.482957 0.045328
C 0.272681 2.606935 -0.045327
C -0.372050 -2.017977 -0.057776
C 1.917578 -0.712430 0.039086
C -3.330568 -1.823839 -0.062568
C 1.089071 -2.060709 -0.016542
C 2.815089 2.363554 0.065804
H -2.716464 2.805424 0.307566
H -2.601838 2.005596 -1.280041
H -2.989018 0.713341 1.498956
H -4.103144 0.659546 0.099857
H 0.322415 3.693861 -0.075660
H -0.871894 -2.990579 -0.070309
H -3.327670 -2.350186 0.914859
H -3.000807 -2.536764 -0.837980
H -4.363303 -1.516072 -0.293800
H 2.783767 3.464491 0.040690
H 3.324721 2.027093 0.983152
H 3.392441 1.987795 -0.794559