%chk=000056266.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056266

0 1
 O   -2.650300     -0.1657000      -1.927600    
 O    2.278200      -2.236700      0.1142000    
 O    1.436900       2.472900     -0.1096000    
 O    3.210300      0.3705000      0.2108000    
 N   -4.581700     -0.2585000      0.2084000    
 C   -2.277100     -0.6500000     -0.6306000    
 C  -0.8272000     -0.3808000     -0.4085000    
 C   -3.165400      1.7500000E-02  0.4382000    
 C  -0.3615000      0.9331000     -0.3617000    
 C   6.3000001E-02  -1.442700     -0.2479000    
 C    1.419200      -1.190600     -4.0399998E-02
 C   0.9946000       1.185200     -0.1543000    
 C    1.885000      0.1235000      6.3999998E-03
 C   -5.401800      0.3582000       1.240100    
 C    2.490900      -2.709500       1.442800    
 C    1.449700       3.109900       1.166500    
 C    4.037100      0.4636000     -0.9469000    
 H   -2.465600      -1.731000     -0.6318000    
 H   -3.028500       1.105200      0.4127000    
 H   -2.864400     -0.3365000       1.432500    
 H   -1.040100       1.770900     -0.4994000    
 H  -0.2912000      -2.470000     -0.2839000    
 H   -4.736500      -1.266300      0.2104000    
 H   -3.602800     -0.3308000      -2.034500    
 H   -5.159800     -3.1800002E-02   2.234100    
 H   -6.456700      0.1433000       1.043300    
 H   -5.284500       1.446800       1.243800    
 H    1.553800      -3.075900       1.873800    
 H    2.909600      -1.917500       2.071700    
 H    3.204200      -3.537200       1.401800    
 H    2.105100       2.572600       1.859100    
 H   0.4362000       3.167600       1.576100    
 H    1.833700       4.125600       1.038600    
 H    3.709100       1.286700      -1.589700    
 H    4.024700     -0.4772000      -1.506100    
 H    5.061600      0.6623000     -0.6208000    


%chk=000056266-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056266

0 1
O -2.944086 0.668993 -1.600090
O 1.899657 -2.403108 0.513750
O 1.555439 2.464805 -0.364650
O 3.180225 0.196203 0.371770
N -4.727820 -0.407242 0.100311
C -2.441144 -0.453477 -0.816726
C -0.963971 -0.269248 -0.505479
C -3.300201 -0.536331 0.485111
C -0.374032 1.013345 -0.560431
C -0.188233 -1.380678 -0.102301
C 1.179843 -1.228590 0.218768
C 0.986424 1.174544 -0.232313
C 1.789445 0.054379 0.126514
C -5.643125 0.066738 1.161432
C 2.722971 -2.394352 1.742374
C 2.123657 3.029363 0.879748
C 3.962077 0.496059 -0.854136
H -2.574627 -1.403448 -1.385586
H -3.046931 0.328372 1.126081
H -3.061968 -1.462928 1.052635
H -0.965637 1.873586 -0.882038
H -0.613953 -2.389193 -0.053169
H -5.077460 -1.262692 -0.353824
H -3.922288 0.697135 -1.353097
H -5.671132 -0.588207 2.061953
H -6.667938 0.143152 0.757689
H -5.332319 1.075590 1.486064
H 2.077188 -2.262795 2.632683
H 3.480575 -1.594594 1.702943
H 3.201130 -3.385545 1.772259
H 2.913993 2.373941 1.287493
H 1.324210 3.170019 1.632457
H 2.541152 4.006583 0.592206
H 3.607427 1.435766 -1.314238
H 3.872859 -0.338503 -1.573765
H 5.006392 0.599059 -0.520800


