%chk=000059937.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059937

0 1
 O    1.600700      0.4578000       1.653200    
 N    1.763300      -1.385400      0.2382000    
 N    2.008100       3.645400      0.5509000    
 C   0.4436000      0.6148000     -0.3711000    
 C   0.9301000       1.950500     -0.8328000    
 C   0.9738000      0.7711000      -1.759500    
 C    2.208400       2.512600     -0.3267000    
 C   -1.006900      0.3679000     -0.1878000    
 C    1.320500     -0.1086000      0.6000000    
 C   -1.630900      0.6971000       1.019800    
 C   -1.762100     -0.1964000      -1.221000    
 C    3.037800      -1.923400      0.6943000    
 C   0.9785000      -2.266700     -0.6214000    
 C   -2.995500      0.4645000       1.192300    
 C   -3.126600     -0.4287000      -1.048600    
 C   -3.743400     -9.8300003E-02  0.1581000    
 C    4.158400      -1.586300     -0.2675000    
 C   4.5100000E-02  -3.143700      0.1874000    
 C   -5.202900     -0.3442000      0.3422000    
 H   0.2068000       2.719200      -1.086200    
 H   0.3307000      0.8419000      -2.628800    
 H    1.947500      0.3593000      -2.007000    
 H    2.769300       2.877000      -1.197200    
 H    2.876500       1.787900      0.1445000    
 H   -1.066600       1.143800       1.834200    
 H   -1.324800     -0.4790000      -2.173300    
 H    1.532700       4.394700      4.8999999E-02
 H    2.912000       4.025400      0.8297000    
 H    3.271300      -1.480600       1.669100    
 H    2.953600      -3.006000      0.8367000    
 H   0.4106000      -1.713800      -1.363200    
 H    1.667800      -2.898600      -1.194200    
 H   -3.464700      0.7266000       2.137000    
 H   -3.698200     -0.8712000      -1.860100    
 H    3.974000      -2.013500      -1.258400    
 H    4.261700     -0.5028000     -0.3877000    
 H    5.110000      -1.980800      0.1019000    
 H   0.6025000      -3.783800      0.8791000    
 H  -0.6515000      -2.544900      0.7823000    
 H  -0.5394000      -3.790100     -0.4746000    
 H   -5.365700      -1.343200      0.7585000    
 H   -5.645700      0.3948000       1.018700    
 H   -5.739700     -0.2689000     -0.6096000    


%chk=000059937-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059937

0 1
O 1.901248 0.647392 1.291793
N 1.788502 -1.329891 0.094425
N 1.907159 3.481256 0.484561
C 0.464035 0.654488 -0.694595
C 0.809402 2.073723 -1.216976
C 0.876206 0.872143 -2.164945
C 2.079618 2.819202 -0.821779
C -0.986154 0.376483 -0.345080
C 1.441662 -0.000374 0.286502
C -1.458917 0.711063 0.953123
C -1.898160 -0.205700 -1.257823
C 2.751684 -1.936397 1.050262
C 1.236042 -2.215285 -0.955969
C -2.797354 0.467955 1.317844
C -3.243275 -0.442407 -0.889410
C -3.718303 -0.110090 0.402608
C 4.216653 -1.688256 0.632713
C 0.158917 -3.189335 -0.426626
C -5.165966 -0.346094 0.798634
H -0.064208 2.728541 -1.315095
H 0.118625 0.776347 -2.949135
H 1.876326 0.535191 -2.461533
H 2.269120 3.594404 -1.590898
H 2.942374 2.107872 -0.862031
H -0.764799 1.164501 1.669850
H -1.561466 -0.484888 -2.263428
H 2.607673 4.204785 0.676752
H 1.851173 2.773219 1.230018
H 2.569017 -1.491621 2.043014
H 2.540758 -3.019666 1.107718
H 0.811205 -1.590609 -1.755796
H 2.075802 -2.788826 -1.397036
H -3.138888 0.735579 2.325793
H -3.930984 -0.893131 -1.615685
H 4.424850 -2.096597 -0.373377
H 4.428663 -0.605701 0.625631
H 4.907400 -2.171073 1.348305
H 0.551050 -3.827504 0.385709
H -0.713294 -2.633495 -0.043984
H -0.182342 -3.853035 -1.242714
H -5.239411 -0.867529 1.770897
H -5.713138 0.610722 0.901893
H -5.697806 -0.953961 0.046268


