%chk=000041296.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041296

0 1
 O   0.5973000       2.107900      0.9158000    
 N    2.570900      0.3411000      0.1689000    
 C   -5.046000      -1.779200     -0.4515000    
 C   -3.834900      -2.040200      0.4569000    
 C   -5.233400     -0.2558000     -0.5121000    
 C   -3.033900     -0.7961000      0.2358000    
 C   -3.827900      0.2170000     -0.3144000    
 C   -1.703300     -0.5718000      0.5461000    
 C   -1.166800      0.6907000      0.2845000    
 C   -3.307600       1.475200     -0.5657000    
 C    3.566200     -0.7323000      0.1595000    
 C    1.256300     -0.1813000      0.5255000    
 C   -1.963100       1.706800     -0.2673000    
 C   0.2288000      0.9592000      0.5943000    
 C    4.957200     -0.1636000     -0.1155000    
 C    6.016300      -1.266600     -0.1084000    
 C    2.525200       1.002900      -1.135800    
 C    7.398800     -0.7138000     -0.4165000    
 H   -5.946200      -2.297600     -0.1068000    
 H   -4.824500      -2.153800      -1.460800    
 H   -3.298000      -2.944100      0.1559000    
 H   -4.136100      -2.113100       1.506900    
 H   -5.868600      9.7599998E-02  0.3066000    
 H   -5.650200      5.6800000E-02  -1.473500    
 H   -1.117300      -1.366600      0.9956000    
 H   -3.923800       2.264600     -0.9825000    
 H    3.317600      -1.500100     -0.5848000    
 H    3.581100      -1.224600       1.140200    
 H   0.9310000     -0.9298000     -0.2072000    
 H    1.283600     -0.6444000       1.518900    
 H   -1.546100       2.690500     -0.4702000    
 H    5.210100      0.5953000      0.6356000    
 H    5.008900      0.3156000      -1.098500    
 H    5.763300      -2.032300     -0.8511000    
 H    6.035000      -1.758000      0.8713000    
 H    2.421300      0.2848000      -1.958300    
 H    3.420800       1.608100      -1.307800    
 H    1.705800       1.721300      -1.236600    
 H    8.140600      -1.518500     -0.4010000    
 H    7.424400     -0.2480000      -1.406800    
 H    7.695500      3.5799999E-02  0.3241000    


%chk=000041296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041296

0 1
O 0.550787 2.381499 -0.339218
N 2.643471 0.463609 -0.565926
C -5.238430 -1.853892 -0.114626
C -3.736764 -2.225068 0.101194
C -5.373417 -0.392256 0.417616
C -3.034297 -0.873105 0.045910
C -3.975238 0.176982 0.226608
C -1.669574 -0.586773 -0.131808
C -1.228658 0.769062 -0.135482
C -3.549381 1.522111 0.229590
C 3.587611 -0.652670 -0.301021
C 1.245806 0.029000 -0.463315
C -2.181323 1.810671 0.045549
C 0.213254 1.163203 -0.314403
C 5.038725 -0.187180 -0.061634
C 5.946486 -1.340741 0.425041
C 2.928133 1.186382 -1.824350
C 7.414004 -0.902074 0.618631
H -5.927356 -2.555787 0.385956
H -5.466959 -1.870451 -1.196482
H -3.362345 -2.942356 -0.651129
H -3.588714 -2.692691 1.096180
H -5.640504 -0.388759 1.494508
H -6.153785 0.186394 -0.108420
H -0.957149 -1.406726 -0.275209
H -4.270052 2.336386 0.367182
H 3.579422 -1.409653 -1.131833
H 3.238882 -1.175495 0.612309
H 0.920932 -0.599687 -1.339291
H 1.144045 -0.621623 0.428325
H -1.812754 2.841852 0.035657
H 5.025032 0.627208 0.688691
H 5.469897 0.236571 -0.989886
H 5.903321 -2.176904 -0.303297
H 5.550288 -1.739276 1.381468
H 2.822857 0.531702 -2.728506
H 3.955141 1.584919 -1.804855
H 2.240055 2.040495 -1.913015
H 8.042580 -1.736862 0.979679
H 7.847617 -0.538591 -0.332158
H 7.486654 -0.079826 1.355069


