%chk=000037544.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037544

0 1
 O    6.029400      0.4265000       1.060900    
 N   -2.544800      0.7358000     -0.5440000    
 N  -0.3021000      0.5967000      0.3305000    
 N   -4.456100       1.825300     -0.2278000    
 N    5.820300     -0.8839000     -0.8423000    
 N    7.180500      -1.111700     -0.9267000    
 C   -3.464900     -0.2267000     -0.2159000    
 C   -1.147500      0.5263000     -0.8432000    
 C   -4.649600      0.4785000     -2.3300000E-02
 C   -3.184600       1.944000     -0.5381000    
 C    1.073400      0.4273000      0.2962000    
 C   -3.365400      -1.611400     -7.5300001E-02
 C   -5.814300     -0.2232000      0.3311000    
 C   -4.534400      -2.293700      0.2776000    
 C    1.839900      0.5076000       1.473500    
 C    1.738700      0.1705000     -0.9168000    
 C   -5.738000      -1.613800      0.4777000    
 C    3.865200      8.3499998E-02  0.2268000    
 C    3.223800      0.3372000       1.439000    
 C    3.122700      9.9999997E-05 -0.9511000    
 C    5.308000     -9.4999999E-02  0.1910000    
 H  -0.8618000       1.297000      -1.569800    
 H   -1.059500     -0.4489000      -1.335500    
 H  -0.7322000      0.7775000       1.231100    
 H   -2.677000       2.871900     -0.7648000    
 H   -2.432600      -2.142400     -0.2271000    
 H   -6.754400      0.2957000      0.4888000    
 H    1.355300      0.7037000       2.427600    
 H    1.200400      0.1041000      -1.858500    
 H   -4.504500      -3.373700      0.3990000    
 H   -6.629800      -2.171700      0.7516000    
 H    3.783400      0.4014000       2.368600    
 H    3.586000     -0.1671000      -1.919100    
 H    5.234400      -1.359400      -1.520600    
 H    7.313900      -2.121300     -0.8856000    
 H    7.469600     -0.8275000      -1.861600    


%chk=000037544-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037544

0 1
O 5.846239 -0.422882 1.246923
N -2.651507 1.044599 -0.669631
N -0.387533 1.006570 0.135198
N -4.828793 1.702578 -0.356968
N 5.686015 -1.201600 -0.931814
N 7.034327 -1.653133 -0.969311
C -3.332667 -0.094982 -0.192729
C -1.244257 1.124986 -1.046025
C -4.690056 0.334808 -0.003405
C -3.605781 2.078802 -0.743897
C 0.956176 0.632404 0.102094
C -2.907829 -1.412562 0.077712
C -5.659822 -0.578613 0.468588
C -3.892948 -2.308779 0.544617
C 1.670843 0.474433 1.329966
C 1.653101 0.406197 -1.122717
C -5.245802 -1.899397 0.737492
C 3.704439 -0.177941 0.112027
C 3.015472 0.084417 1.327967
C 3.001837 0.001799 -1.107297
C 5.140625 -0.590888 0.200546
H -1.098208 2.086471 -1.582953
H -0.999258 0.306768 -1.751605
H -0.800451 1.279572 1.027774
H -3.337606 3.076474 -1.090152
H -1.868525 -1.730293 -0.053925
H -6.695482 -0.257538 0.614667
H 1.154815 0.656540 2.280786
H 1.161406 0.574452 -2.085975
H -3.610994 -3.343474 0.768462
H -5.975044 -2.629681 1.104296
H 3.569846 -0.026867 2.265625
H 3.512456 -0.123794 -2.069739
H 5.105113 -1.518123 -1.707572
H 7.236593 -2.215716 -0.128496
H 7.674661 -0.846407 -1.006627


