%chk=000046240.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046240

0 1
 O   -1.214100      -1.097800      -1.743500    
 O  -0.1167000       2.466500     -2.0400001E-02
 O    3.306000      -1.855400     -4.2399999E-02
 N   -3.469800     -0.6278000      1.1100000E-02
 C   -2.076900     -0.4999000      0.4576000    
 C   -1.186900     -8.3800003E-02 -0.7352000    
 C   0.2661000      0.1259000     -0.3660000    
 C   -1.652700      -1.836500       1.069500    
 C   0.7187000       1.390200     -2.9200001E-02
 C   -3.926700      0.6255000     -0.5834000    
 C   -4.326300      -1.010000       1.130600    
 C    1.115700     -0.9677000     -0.3757000    
 C    2.457600     -0.7912000     -3.8500000E-02
 C    2.060700       1.566400      0.3081000    
 C    2.930200      0.4757000      0.3033000    
 C   0.4503000       3.724000      0.3411000    
 C    4.664800      -1.604100      0.3130000    
 H   -1.994100      0.2706000       1.237600    
 H   -1.523500      0.8364000      -1.220000    
 H   -2.194900      -2.070700       1.991400    
 H   -1.781900      -2.672000      0.3725000    
 H  -0.6061000      -1.820700       1.384500    
 H   -5.013200      0.6047000     -0.7358000    
 H   -3.521200      0.7800000      -1.587800    
 H   -3.703200       1.497500      4.2100001E-02
 H   -4.192300      -2.058400       1.415000    
 H   -5.383600     -0.9428000      0.8447000    
 H   -4.185100     -0.3703000       2.009500    
 H   0.7728000      -1.965100     -0.6364000    
 H   -2.144900      -1.246900      -1.982000    
 H    2.497600       2.520100      0.5838000    
 H    3.959700      0.6822000      0.5753000    
 H    1.215700       4.042900     -0.3746000    
 H   0.8184000       3.719600       1.372800    
 H  -0.3548000       4.464900      0.2952000    
 H    5.195600      -2.560300      0.2568000    
 H    4.751800      -1.250500       1.346000    
 H    5.148700     -0.9277000     -0.3998000    


%chk=000046240-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046240

0 1
O -1.320696 -1.300924 -1.503997
O -0.141364 2.345020 0.268670
O 3.396516 -1.995046 -0.380613
N -3.438066 -0.572768 -0.115144
C -2.129859 -0.100495 0.473927
C -1.122156 -0.067987 -0.749662
C 0.337627 0.076379 -0.358996
C -1.618194 -1.019069 1.597035
C 0.826379 1.317701 0.147857
C -4.139857 0.510678 -0.848950
C -4.367435 -1.275664 0.798340
C 1.236265 -0.989923 -0.520577
C 2.603438 -0.848430 -0.174161
C 2.186092 1.465797 0.488606
C 3.083326 0.379674 0.331785
C 0.331084 3.660993 0.694381
C 4.818931 -1.887231 -0.064138
H -2.227291 0.934464 0.867956
H -1.386710 0.810980 -1.377524
H -2.314426 -1.052692 2.452757
H -1.447740 -2.047189 1.228751
H -0.653156 -0.635202 1.967163
H -5.005318 0.090423 -1.391196
H -3.465159 0.968614 -1.590302
H -4.506834 1.315690 -0.169176
H -3.885499 -2.162322 1.237241
H -5.240137 -1.619577 0.214166
H -4.743121 -0.630408 1.628228
H 0.867427 -1.929126 -0.939515
H -2.302520 -1.490250 -1.323519
H 2.569007 2.414742 0.875883
H 4.134920 0.514706 0.601376
H 1.094417 4.060318 -0.002350
H 0.750938 3.628857 1.719478
H -0.558398 4.308724 0.680389
H 5.243811 -2.873944 -0.301322
H 4.980923 -1.661161 1.009066
H 5.314336 -1.110852 -0.681115


