%chk=000036283.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036283

0 1
 O   0.7442000      -2.427100      0.6096000    
 O   -3.019400      0.8551000       2.022900    
 O   -4.481100      0.8927000     -0.3403000    
 N    1.729200      0.8795000     -0.6979000    
 C    1.761800     -0.2818000      0.2000000    
 C    3.159500     -0.9158000      0.2191000    
 C    4.225500      0.1079000      0.5998000    
 C   0.7186000      -1.298500     -0.2601000    
 C    4.121500       1.343900     -0.2869000    
 C    2.699200       1.898900     -0.2976000    
 C  -0.6716000     -0.7119000     -0.2784000    
 C   -1.206600     -0.1955000      0.8915000    
 C   -1.389100     -0.7001000      -1.464300    
 C   -2.492000      0.3462000      0.8748000    
 C   -2.674100     -0.1584000      -1.480900    
 C   -3.225600      0.3649000     -0.3114000    
 H    1.540400      4.4100001E-02   1.225300    
 H    3.398900      -1.333900     -0.7676000    
 H    3.198000      -1.745900      0.9341000    
 H    5.222700     -0.3365000      0.5094000    
 H    4.095900      0.3983000       1.649600    
 H   0.9819000      -1.670600      -1.258800    
 H    4.817500       2.112800      6.6500001E-02
 H    4.422900       1.085000      -1.310000    
 H    2.439600       2.298700      0.6903000    
 H    2.646400       2.734300      -1.004400    
 H   0.8013000       1.300700     -0.6983000    
 H  -3.5500001E-02  -2.976000      0.4188000    
 H  -0.6454000     -0.2198000       1.821400    
 H  -0.9710000      -1.103900      -2.381800    
 H   -3.240400     -0.1465000      -2.408300    
 H   -2.370300      0.7584000       2.740800    
 H   -4.701300       1.207300      0.5537000    


%chk=000036283-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036283

0 1
O 0.798753 -2.341711 0.900988
O -3.450604 0.516776 2.046910
O -4.562215 0.991355 -0.362739
N 1.814553 0.832030 -0.761367
C 1.816691 -0.262379 0.237555
C 3.217694 -0.913203 0.277682
C 4.308084 0.144362 0.564978
C 0.723881 -1.293933 -0.141576
C 4.230614 1.299743 -0.460774
C 2.807088 1.895115 -0.480589
C -0.676433 -0.695747 -0.211233
C -1.370235 -0.390479 0.991469
C -1.302701 -0.434378 -1.454124
C -2.654172 0.171060 0.928917
C -2.597156 0.133527 -1.512404
C -3.279258 0.438630 -0.320751
H 1.578162 0.107633 1.270031
H 3.410519 -1.382070 -0.708342
H 3.222880 -1.711701 1.039473
H 5.310047 -0.325143 0.546215
H 4.164864 0.553200 1.587453
H 0.989153 -1.715030 -1.135164
H 4.962906 2.093394 -0.216129
H 4.470306 0.915582 -1.471159
H 2.623406 2.397627 0.504763
H 2.723644 2.667244 -1.267836
H 0.868595 1.212881 -0.904167
H 0.084840 -3.004811 0.721996
H -0.891019 -0.609494 1.954190
H -0.777652 -0.677438 -2.384666
H -3.090651 0.338160 -2.466848
H -2.992679 0.324698 2.899591
H -4.880304 1.130999 0.568256


