%chk=000058324.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058324

0 1
 O  -0.1879000      0.7759000       1.147400    
 O    2.036900      0.8394000       1.178300    
 O   0.9414000      9.9600002E-02 -0.7449000    
 N   -3.957700       1.919100     -0.2272000    
 C   -1.443100      0.5059000      0.5008000    
 C   -1.554900       1.502800     -0.6759000    
 C   -2.556700      0.8723000       1.508600    
 C   -2.968700       1.595700      -1.262800    
 C   -3.939300      0.9286000      0.8558000    
 C   -1.435700     -0.9827000      0.1449000    
 C   -5.295900       2.021300     -0.8082000    
 C   -1.527400      -1.380100      -1.188200    
 C   -1.337800      -1.939100       1.154500    
 C   0.9291000      0.5258000      0.4030000    
 C   -1.521200      -2.736700      -1.512600    
 C   -1.331400      -3.295700      0.8301000    
 C   -1.423200      -3.694600     -0.5033000    
 C    3.247400      0.6208000      0.5151000    
 C    3.794000       1.649400     -0.2194000    
 C    3.845600     -0.6150000      0.6211000    
 C    5.001800       1.431000     -0.8822000    
 C    5.053400     -0.8334000     -4.1499998E-02
 C    5.631400      0.1896000     -0.7933000    
 H  -0.8586000       1.307900      -1.496900    
 H   -1.269500       2.502500     -0.3140000    
 H   -2.330400       1.851900       1.954700    
 H   -2.580300      0.1813000       2.359100    
 H   -2.964400       2.391900      -2.017900    
 H   -3.250100      0.6740000      -1.782300    
 H   -4.228300     -6.5300003E-02  0.4910000    
 H   -4.665600       1.214400       1.626500    
 H   -5.628100       1.076100      -1.252700    
 H   -5.320900       2.795000      -1.583800    
 H   -6.024600       2.318600     -4.5899998E-02
 H   -1.577800     -0.6839000      -2.016000    
 H   -1.249600      -1.651700       2.198200    
 H   -1.585900      -3.048000      -2.551200    
 H   -1.250900      -4.041600       1.615500    
 H   -1.415900      -4.750800     -0.7559000    
 H    3.304000       2.615600     -0.2881000    
 H    3.395600      -1.410800       1.206200    
 H    5.451800       2.227600      -1.467500    
 H    5.543700      -1.800000      2.7700000E-02
 H    6.571700      1.9400001E-02  -1.309400    


%chk=000058324-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058324

0 1
O -0.105868 0.863369 0.658370
O 2.095108 0.854974 0.649192
O 0.970113 -0.038095 -1.236125
N -4.076145 1.885503 -0.403367
C -1.515759 0.490179 0.153429
C -1.787398 1.236354 -1.172496
C -2.401495 1.116240 1.256981
C -3.294898 1.295082 -1.513621
C -3.887441 1.118031 0.849665
C -1.600487 -1.043272 0.111255
C -5.498884 2.059086 -0.752023
C -1.883013 -1.765540 -1.073877
C -1.362615 -1.775824 1.305451
C 0.976092 0.495045 -0.106633
C -1.952311 -3.176377 -1.063387
C -1.422108 -3.184813 1.318140
C -1.726802 -3.893124 0.132487
C 3.445020 0.677748 0.206151
C 4.385653 1.277166 1.073182
C 3.849113 -0.034049 -0.946546
C 5.761010 1.167367 0.782827
C 5.234435 -0.131175 -1.218460
C 6.192096 0.462035 -0.366206
H -1.220927 0.790962 -2.006451
H -1.428795 2.273634 -1.038996
H -2.071090 2.159409 1.405192
H -2.271972 0.578476 2.211424
H -3.428238 1.928677 -2.410532
H -3.673279 0.273164 -1.774249
H -4.257914 0.064191 0.753036
H -4.479219 1.601476 1.648784
H -6.025698 1.093945 -0.965257
H -5.587082 2.700236 -1.647528
H -6.027163 2.559470 0.079243
H -2.028508 -1.237450 -2.020107
H -1.102201 -1.241789 2.226019
H -2.170584 -3.714939 -1.992366
H -1.226643 -3.729631 2.248538
H -1.776090 -4.987728 0.139430
H 4.024406 1.815155 1.954482
H 3.111198 -0.488131 -1.608517
H 6.492494 1.631775 1.452896
H 5.559622 -0.679540 -2.109600
H 7.260270 0.376730 -0.592429


