%chk=000071129.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071129

0 1
 O    2.226200       1.525900      0.9102000    
 N   0.6241000      -1.639700     -0.1285000    
 C    2.137000      0.1846000      0.4009000    
 C   0.6855000     -0.2513000      0.3501000    
 C    2.812400      0.2027000     -0.9595000    
 C    3.900100       1.224300     -0.7412000    
 C  -0.1789000      0.6357000     -0.5724000    
 C    3.203100       2.240400      0.1385000    
 C   -1.660700      0.5080000     -0.3123000    
 C    1.366900      -2.516200      0.7593000    
 C   -2.391100     -0.4480000      -1.000000    
 C   -2.263400       1.349400      0.6093000    
 C    1.311900      -3.955900      0.2913000    
 C   -3.760200     -0.5657000     -0.7599000    
 C   -3.632300       1.231700      0.8495000    
 C   -4.380700      0.2741000      0.1648000    
 H    2.732100     -0.3916000       1.115000    
 H   0.2694000     -0.1871000       1.365200    
 H    2.160900      0.5618000      -1.761400    
 H    3.204300     -0.7748000      -1.255100    
 H    4.735000      0.7677000     -0.1966000    
 H    4.291500       1.657000      -1.665600    
 H   8.1000002E-03  0.4128000      -1.631400    
 H   9.4400004E-02   1.692300     -0.4530000    
 H    3.893800       2.760000      0.8083000    
 H    2.671400       2.985800     -0.4623000    
 H  -0.3449000      -1.950900     -0.1695000    
 H    2.433500      -2.283200      0.7908000    
 H   0.9730000      -2.460100       1.780900    
 H   -1.921800      -1.102500      -1.728700    
 H   -1.688500       2.096400       1.149100    
 H   0.2810000      -4.325100      0.2665000    
 H    1.737300      -4.063500     -0.7124000    
 H    1.881900      -4.599500      0.9694000    
 H   -4.343200      -1.310000      -1.294300    
 H   -4.115500       1.885100       1.570000    
 H   -5.446700      0.1826000      0.3516000    


%chk=000071129-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000071129

0 1
O 2.415939 1.703271 0.840773
N 0.693933 -1.565085 -0.016536
C 2.319306 0.275679 0.399522
C 0.826321 -0.152716 0.413584
C 3.051962 0.186495 -0.960809
C 4.022360 1.396024 -0.922804
C -0.055597 0.757003 -0.486392
C 3.185189 2.455524 -0.179786
C -1.542546 0.498545 -0.291866
C 1.144150 -2.587913 0.956864
C -2.302135 -0.202212 -1.264695
C -2.200282 0.938158 0.888535
C 0.772634 -3.998194 0.467352
C -3.678868 -0.460568 -1.066098
C -3.573879 0.682631 1.091102
C -4.319438 -0.020011 0.114183
H 2.864564 -0.313565 1.164019
H 0.474179 -0.008652 1.467517
H 2.337831 0.286103 -1.796604
H 3.569974 -0.778081 -1.083462
H 4.927517 1.146804 -0.339127
H 4.333847 1.728236 -1.928484
H 0.216595 0.592195 -1.545762
H 0.192976 1.800847 -0.222491
H 3.785265 3.212430 0.353204
H 2.486062 2.967135 -0.875525
H -0.276809 -1.754568 -0.308976
H 2.243546 -2.520916 1.069156
H 0.708834 -2.417105 1.974000
H -1.812389 -0.534987 -2.188914
H -1.630144 1.491381 1.645444
H -0.324654 -4.107347 0.368540
H 1.226521 -4.194638 -0.520202
H 1.125145 -4.767369 1.177622
H -4.248980 -0.999862 -1.831353
H -4.065648 1.034396 2.005434
H -5.386382 -0.215869 0.269641


