%chk=000029106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029106

0 1
 O   -3.200500      -2.917200      2.4000001E-03
 N    3.836900     -0.3064000     -0.5955000    
 N   -2.518800       2.519000     -0.2046000    
 C    1.673400      0.8255000     -0.1025000    
 C   0.6087000       1.075400       1.005600    
 C    2.869800      2.2399999E-02  0.4479000    
 C  -0.7456000       1.390100      0.5081000    
 C    2.128000       2.164500     -0.6997000    
 C   -1.781500      0.4572000      0.2226000    
 C    4.957500      -1.054200     -4.5000002E-02
 C   -2.882700       1.191400     -0.2230000    
 C   -1.229100       2.649100      0.2356000    
 C   -1.888200     -0.9457000      0.3004000    
 C    5.663800     -0.2335000       1.030500    
 C    5.919100      -1.428600      -1.168300    
 C   -4.090100      0.5904000     -0.5960000    
 C   -3.090000      -1.560600     -6.9300003E-02
 C   -4.172800     -0.8023000     -0.5102000    
 C   -2.057900      -3.636400      0.4611000    
 H    1.209000      0.2354000     -0.9049000    
 H   0.9562000       1.875000       1.673700    
 H   0.5418000      0.1817000       1.640300    
 H    3.314500      0.6349000       1.238700    
 H    2.496900     -0.9012000      0.9081000    
 H    1.288100       2.712400      -1.136600    
 H    2.857900       2.015300      -1.502100    
 H    2.590900       2.801500      6.1700001E-02
 H    3.379600     -0.8503000      -1.326600    
 H    4.598600      -1.989700      0.4034000    
 H  -0.7739000       3.626500      0.3159000    
 H   -3.117900       3.286000     -0.4769000    
 H   -1.016000      -1.486100      0.6471000    
 H    6.626900     -0.6912000       1.285600    
 H    5.871700      0.7886000      0.6934000    
 H    5.094900     -0.1877000       1.964400    
 H    5.417600      -2.033900      -1.931800    
 H    6.758400      -2.016300     -0.7809000    
 H    6.330300     -0.5386000      -1.658000    
 H   -4.933600       1.179800     -0.9394000    
 H   -5.100000      -1.294700     -0.7942000    
 H   -2.322000      -4.699100      0.4559000    
 H   -1.805600      -3.376500       1.494700    
 H   -1.206700      -3.517000     -0.2179000    


%chk=000029106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029106

0 1
O -3.145595 -2.887016 -0.441946
N 3.804683 -0.407028 -0.305648
N -2.639987 2.651854 0.102283
C 1.607484 0.723173 0.091594
C 0.618898 1.154555 1.220889
C 2.922840 0.196957 0.717275
C -0.769563 1.488506 0.734523
C 1.876214 1.870663 -0.904957
C -1.778954 0.543359 0.283439
C 5.079848 -0.994074 0.185561
C -2.937556 1.298698 -0.107199
C -1.337126 2.758723 0.610429
C -1.803075 -0.877434 0.188046
C 6.061383 0.116258 0.621596
C 5.692062 -1.853473 -0.939672
C -4.109570 0.675029 -0.592607
C -2.975528 -1.492490 -0.294719
C -4.117345 -0.725851 -0.684742
C -2.024470 -3.738231 -0.053758
H 1.135330 -0.116124 -0.466047
H 1.053814 2.028687 1.746026
H 0.561482 0.335441 1.968523
H 3.456092 1.045029 1.190776
H 2.673411 -0.524005 1.540548
H 0.950089 2.169981 -1.426645
H 2.629603 1.560767 -1.649188
H 2.271750 2.758619 -0.372516
H 3.281851 -1.098354 -0.864446
H 4.898516 -1.657674 1.072008
H -0.904103 3.729216 0.847284
H -3.271084 3.429490 -0.074085
H -0.930901 -1.463229 0.492921
H 7.017541 -0.324252 0.959635
H 6.259419 0.793785 -0.228506
H 5.656218 0.718170 1.454656
H 5.010561 -2.674521 -1.236699
H 6.644656 -2.306963 -0.612937
H 5.886757 -1.227769 -1.829897
H -4.991211 1.253481 -0.890030
H -4.994816 -1.265504 -1.053135
H -2.361680 -4.768359 -0.242946
H -1.777665 -3.618639 1.020355
H -1.122671 -3.524554 -0.662342


