%chk=000145960.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145960

0 1
 O   -1.007000      0.9395000      -1.400600    
 O    2.853100      -1.196500       1.314000    
 N  -0.7308000       2.926200      0.4672000    
 N    3.870600      0.5140000     -0.4743000    
 N   -3.206900      0.6096000     -0.7292000    
 N    1.609000      -2.358300     -0.2676000    
 C  -0.7921000       3.863400       1.581400    
 C  -0.5388000       2.402600       1.813600    
 C    3.156000       1.738400     -0.1369000    
 C    3.974900       1.642200      -1.390800    
 C   -2.066700       2.615800     -2.1199999E-02
 C    2.954800     -0.4913000     -0.9941000    
 C   -2.684400      -2.048200      0.6949000    
 C   -1.370100      -2.553900      9.4800003E-02
 C   -3.764400      -1.763100     -0.3553000    
 C  -0.3279000      -2.814600       1.187700    
 C   -2.010700       1.318200     -0.8009000    
 C    2.494400      -1.369300      0.1513000    
 C   -3.413200     -0.6664000      -1.356500    
 C    1.000300      -3.308300      0.6225000    
 H   4.6599999E-02   4.541600       1.668000    
 H   -1.751500       4.275900       1.864900    
 H   -1.320300       1.804100       2.263400    
 H   0.4707000       2.096200       2.055200    
 H    2.077900       1.760900     -0.2239000    
 H    3.563000       2.303500      0.6914000    
 H    4.933600       2.143300      -1.408100    
 H    3.462500       1.589700      -2.342500    
 H   -2.834000       2.551900      0.7623000    
 H   -2.387200       3.396100     -0.7221000    
 H    2.067000     -9.2200004E-02  -1.504300    
 H    3.488300      -1.127800      -1.710400    
 H   -3.072200      -2.801600       1.391800    
 H   -2.497600      -1.144200       1.287000    
 H  -0.9764000      -1.814600     -0.6092000    
 H   -1.553200      -3.476000     -0.4695000    
 H   -4.686100      -1.484200      0.1711000    
 H   -3.984300      -2.686600     -0.9045000    
 H  -0.1620000      -1.892000       1.757800    
 H  -0.7143000      -3.562800       1.890000    
 H   -2.543900     -0.9435000      -1.960100    
 H   -4.252500     -0.5373000      -2.049100    
 H   0.8543000      -4.236300      5.9500001E-02
 H    1.692200      -3.519900       1.445000    
 H   -3.997200       1.022900     -0.2431000    
 H    1.369500      -2.415600      -1.253300    


%chk=000145960-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145960

0 1
O -0.889434 0.443351 -1.706722
O 1.977288 -0.531283 1.396923
N -0.275110 2.374039 0.413538
N 3.571790 0.788941 -0.678770
N -3.060714 0.509953 -0.865052
N 1.557502 -2.184019 -0.176045
C -0.209662 3.275885 1.624144
C -0.320238 1.767848 1.799722
C 3.297373 2.093510 0.032315
C 3.677370 2.095446 -1.439674
C -1.557832 2.389250 -0.336203
C 2.357335 -0.011098 -0.996547
C -2.801975 -2.078772 0.723761
C -1.456030 -2.615519 0.184143
C -3.879594 -1.823910 -0.356124
C -0.405204 -2.763354 1.306041
C -1.786762 1.031830 -1.030616
C 1.973884 -0.914342 0.184752
C -3.479643 -0.783425 -1.435034
C 1.009281 -3.143343 0.801144
H 0.749346 3.779051 1.781966
H -1.094961 3.880007 1.870512
H -1.285155 1.378440 2.157819
H 0.556500 1.162334 2.050610
H 2.250139 2.318469 0.269154
H 4.034993 2.361710 0.794925
H 4.690741 2.366349 -1.752786
H 2.883467 2.342804 -2.158438
H -2.439990 2.638469 0.307608
H -1.480534 3.169464 -1.117324
H 1.458903 0.607833 -1.226977
H 2.585080 -0.626136 -1.888684
H -3.210377 -2.790208 1.470269
H -2.606952 -1.134107 1.272274
H -1.060892 -1.917881 -0.578209
H -1.618928 -3.592740 -0.318785
H -4.820282 -1.498627 0.135663
H -4.117757 -2.769837 -0.883885
H -0.320318 -1.808399 1.858535
H -0.729434 -3.531444 2.037937
H -2.625142 -1.141352 -2.033340
H -4.330322 -0.624639 -2.126923
H 0.995658 -4.140271 0.321736
H 1.698010 -3.186353 1.664953
H -3.727075 1.019792 -0.281226
H 1.558657 -2.432217 -1.165782


