%chk=000060258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060258

0 1
 O  -0.4319000      0.7096000       1.854100    
 N    1.428500       1.493300     -0.2046000    
 N   -4.418300      -2.640200     -0.5919000    
 C    2.129000      0.2174000     -0.2923000    
 C    3.616200      0.4075000      1.1000000E-03
 C  -2.0000001E-03   1.314600     -0.4595000    
 C  -0.6028000      0.2830000      0.5032000    
 C    4.374900     -0.9170000     -0.1066000    
 C    5.857100     -0.7374000      0.2211000    
 C   -2.082000      8.6900003E-02  0.2527000    
 C    1.995500       2.458400      -1.148200    
 C    6.620600      -2.045000      8.2699999E-02
 C   -2.554600      -1.178200     -5.0400000E-02
 C   -2.930500       1.177800      0.3308000    
 C   -3.918100      -1.358200     -0.2826000    
 C   -4.294000      0.9978000      9.8499998E-02
 C   -4.787800     -0.2703000     -0.2081000    
 H    1.788600     -0.4924000      0.4656000    
 H    1.993800     -0.2497000      -1.276600    
 H    4.087400       1.092400     -0.7112000    
 H    3.750300      0.8307000       1.004600    
 H  -0.4869000       2.287400     -0.3133000    
 H  -0.1836000       1.007800      -1.498600    
 H  -0.1366000     -0.7006000      0.4053000    
 H    3.936500      -1.651200      0.5802000    
 H    4.267900      -1.319800      -1.121300    
 H    6.300100      8.0000004E-03 -0.4496000    
 H    5.969300     -0.3607000       1.244300    
 H    2.968300       2.832500     -0.8150000    
 H    1.362000       3.352200      -1.208300    
 H    2.087800       2.051600      -2.161900    
 H   -1.878900      -2.027700     -0.1095000    
 H    7.677600      -1.893900      0.3228000    
 H    6.222900      -2.805100      0.7628000    
 H    6.556200      -2.430700     -0.9397000    
 H   -2.568600       2.169700      0.5829000    
 H   0.5172000      0.8664000       1.994700    
 H   -4.971800       1.844200      0.1599000    
 H   -5.852600     -0.3977000     -0.3859000    
 H   -5.406700      -2.770500     -0.7615000    
 H   -3.788500      -3.429600     -0.6475000    


%chk=000060258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060258

0 1
O -0.167009 1.007581 1.585417
N 1.359253 1.220886 -0.612740
N -4.714531 -2.256579 -0.976505
C 2.321497 0.090735 -0.744581
C 3.686355 0.348492 -0.073840
C -0.051927 0.796897 -0.835350
C -0.605660 0.158841 0.482729
C 4.596645 -0.900091 -0.119129
C 5.980841 -0.665155 0.528024
C -2.122908 0.049562 0.438886
C 1.744921 2.411630 -1.404329
C 6.882003 -1.917979 0.487285
C -2.717207 -1.056007 -0.210576
C -2.936577 1.067208 0.993105
C -4.131846 -1.160152 -0.330883
C -4.341354 0.963778 0.880159
C -4.943686 -0.128744 0.223383
H 1.861337 -0.794990 -0.267007
H 2.477244 -0.167768 -1.822444
H 4.209384 1.191047 -0.568193
H 3.513501 0.650101 0.978018
H -0.652226 1.698866 -1.051481
H -0.169056 0.092050 -1.689277
H -0.173367 -0.861753 0.599246
H 4.092021 -1.743136 0.397661
H 4.737756 -1.219695 -1.173273
H 6.487796 0.174329 0.009641
H 5.840867 -0.342071 1.579560
H 2.733854 2.778712 -1.081997
H 1.012303 3.218860 -1.234133
H 1.792726 2.204883 -2.500490
H -2.082972 -1.855711 -0.619155
H 7.864302 -1.725362 0.956312
H 6.410680 -2.762371 1.024865
H 7.062771 -2.243263 -0.554766
H -2.459390 1.894294 1.525045
H 0.695151 1.400508 1.231333
H -4.979896 1.742021 1.315043
H -6.036365 -0.195537 0.146360
H -5.724046 -2.345237 -1.037588
H -4.141683 -3.006378 -1.351135


