%chk=000034623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034623

0 1
 O  -0.1849000       2.684700     -0.6754000    
 O   -1.099400      -1.584500      -1.534000    
 O    4.274600      1.3600000E-02  0.9999000    
 N    3.073000      -2.092900      1.6100001E-02
 C   0.8428000      0.7706000     -5.5799998E-02
 C  -0.5120000      0.4802000     -0.3664000    
 C    1.957000      3.0099999E-02  0.3757000    
 C   -1.186000     -0.8307000     -0.3116000    
 C   0.9929000       2.138200     -0.2613000    
 C    1.887800      -1.444900      0.6215000    
 C    3.170900      0.7000000      0.5815000    
 C   -1.089400       1.672900     -0.7357000    
 C   -2.646200     -0.5761000      4.2800002E-02
 C    2.185700       2.831700     -6.5099999E-02
 C    3.280500       2.075800      0.3647000    
 C   -2.997400     -0.4592000       1.371300    
 C   -3.569300     -0.4704000     -0.9762000    
 C    3.095100      -1.839600      -1.417900    
 C    3.051600      -3.521700      0.2971000    
 C   -4.333700     -0.2261000       1.695800    
 C   -4.905700     -0.2370000     -0.6515000    
 C   -5.287800     -0.1148000      0.6845000    
 H  -0.8100000      -1.469200      0.4900000    
 H    1.872400      -1.613500       1.705400    
 H    1.013000      -1.920500      0.1933000    
 H   -2.074600       1.974100      -1.061500    
 H    2.262900       3.898900     -0.2358000    
 H    4.228900       2.583100      0.5282000    
 H   -2.261200     -0.5426000       2.165100    
 H   -3.293600     -0.5512000      -2.023000    
 H    3.254100     -0.7898000      -1.681500    
 H    2.181400      -2.185300      -1.916100    
 H    3.936100      -2.374400      -1.876500    
 H    3.059500      -3.703700       1.377700    
 H    3.947600      -4.006700     -0.1060000    
 H    2.172700      -4.019500     -0.1291000    
 H  -0.1566000      -1.699300      -1.740400    
 H    5.020600      0.6314000       1.086400    
 H   -4.631300     -0.1302000       2.735900    
 H   -5.648400     -0.1476000      -1.438900    
 H   -6.328100      6.7800000E-02  0.9372000    


%chk=000034623-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034623

0 1
O -0.062834 2.797385 -0.554511
O -1.026991 -1.576250 -1.378055
O 4.389994 0.037845 1.310664
N 2.980894 -2.137216 -0.332624
C 0.990193 0.809930 0.083675
C -0.428157 0.533409 -0.212210
C 2.119671 0.047539 0.512136
C -1.201620 -0.774195 -0.147956
C 1.152826 2.215181 -0.129374
C 2.142412 -1.463423 0.691971
C 3.313135 0.772825 0.777658
C -0.989202 1.740673 -0.583556
C -2.705066 -0.564420 0.040506
C 2.340063 2.921576 0.081119
C 3.434694 2.174024 0.558262
C -3.192777 -0.097843 1.287213
C -3.618499 -0.822696 -1.007525
C 2.450800 -2.062316 -1.697528
C 3.382928 -3.497624 0.061937
C -4.574965 0.113246 1.482255
C -5.003656 -0.610723 -0.812611
C -5.486836 -0.141523 0.429871
H -0.826889 -1.360889 0.717903
H 2.596138 -1.695745 1.672818
H 1.103533 -1.874643 0.709328
H -2.003126 2.013146 -0.861852
H 2.406354 3.996957 -0.100907
H 4.386726 2.677730 0.767859
H -2.489820 0.106791 2.104447
H -3.231520 -1.200510 -1.957445
H 2.230660 -1.012416 -1.960344
H 1.523284 -2.684113 -1.852346
H 3.203401 -2.435555 -2.415174
H 3.897670 -3.461866 1.038200
H 4.091465 -3.904112 -0.682301
H 2.525543 -4.214514 0.143704
H -0.059424 -1.652273 -1.580914
H 5.189528 0.611872 1.405078
H -4.940562 0.472340 2.450977
H -5.704142 -0.815929 -1.630259
H -6.560324 0.020022 0.580311


