%chk=000130198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130198

0 1
 O    2.431500      -1.233400      -1.200300    
 O    4.079800      -1.783400       1.947800    
 O    4.117300      -3.509500     -0.1697000    
 O  -9.9799998E-02  -2.200300      -1.907200    
 N    2.891600      0.6648000      9.8499998E-02
 N    3.160600       2.825000      0.5794000    
 N   0.5209000      0.6476000     -0.4306000    
 N   -1.746600       1.033500     -0.8604000    
 N  -0.4521000       2.875100     -0.2127000    
 N   0.8368000       4.781800      0.4433000    
 C    3.000800      -1.736500       1.036900    
 C    3.228100     -0.7424000     -9.9900000E-02
 C    2.845900      -3.039600      0.2777000    
 C    2.048700      -2.601600     -0.9426000    
 C   0.5425000      -2.634000     -0.7211000    
 C    1.664600       1.243300     -6.1000001E-02
 C    3.756400       1.654700      0.4840000    
 C    1.852800       2.582500      0.2414000    
 C   -4.729800      0.3315000       1.078600    
 C   -4.402300     -0.1106000     -0.3261000    
 C   -5.289400     -0.7889000       1.959200    
 C   -4.510100      -2.084300       1.766300    
 C   -4.545600      -2.534300      0.3057000    
 C   -4.150300      0.9830000      -1.321500    
 C   -4.337800      -1.409800     -0.6654000    
 C   -2.940600       1.839800     -0.9685000    
 C   0.7374000       3.409600      0.1547000    
 C  -0.5114000       1.536600     -0.4864000    
 H    2.085500      -1.496400       1.589100    
 H    4.274800     -0.7538000     -0.4310000    
 H    2.374600      -3.839400      0.8561000    
 H    2.308900      -3.176700      -1.838400    
 H   0.2040000      -3.651400     -0.5034000    
 H   0.2219000      -1.982200      9.6299998E-02
 H    4.902900      -1.889500       1.441800    
 H    4.609900      -3.801200      0.6163000    
 H    4.802600       1.464400      0.6816000    
 H   -5.459500       1.149500       1.054200    
 H   -3.819000      0.7234000       1.547700    
 H   -6.344600     -0.9590000       1.709800    
 H   -5.257200     -0.4824000       3.010900    
 H   -3.469000      -1.931900       2.078900    
 H   -4.922300      -2.872600       2.406100    
 H   -5.510800      -3.006100      8.6300001E-02
 H   -3.773200      -3.296100      0.1495000    
 H   -5.040200       1.620900      -1.388600    
 H   -4.004300      0.5602000      -2.324300    
 H   -4.116700      -1.691700      -1.691500    
 H   -3.122400       2.378800     -3.0900000E-02
 H   -2.804600       2.594400      -1.752800    
 H   0.2042000      -1.294700      -2.090100    
 H   -1.780600      4.8599999E-02  -1.097400    
 H    1.723300       5.183100      0.7179000    
 H   1.1900000E-02   5.361800      0.3732000    


%chk=000130198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130198

0 1
O 2.165081 -1.660556 -1.034446
O 4.758896 -1.335808 1.532402
O 4.052035 -3.618508 0.440773
O -0.515879 -1.719843 -0.302564
N 2.942993 0.550182 -0.519330
N 3.426348 2.794700 -0.657753
N 0.457333 0.725060 -0.255181
N -1.799685 1.246610 0.004852
N -0.312250 3.067814 -0.215318
N 1.179353 4.875118 -0.469243
C 3.398805 -1.415517 1.046783
C 3.238495 -0.885793 -0.418855
C 2.875467 -2.873240 0.926828
C 1.738640 -2.751793 -0.101115
C 0.386625 -2.399566 0.593088
C 1.715832 1.219075 -0.400918
C 3.930081 1.553761 -0.675757
C 2.042703 2.599084 -0.487702
C -5.237626 -0.149340 1.001395
C -4.475994 0.037590 -0.307731
C -5.730972 -1.602738 1.196749
C -4.602260 -2.608596 0.873524
C -4.158266 -2.477030 -0.602612
C -4.162497 1.464580 -0.737287
C -4.024677 -1.027948 -1.029661
C -2.997751 2.086319 0.090005
C 0.961495 3.525372 -0.391851
C -0.518806 1.707594 -0.157902
H 2.778311 -0.822723 1.737645
H 4.186891 -1.057411 -0.964851
H 2.530216 -3.283431 1.895876
H 1.620064 -3.646239 -0.738112
H -0.098566 -3.338938 0.920115
H 0.584950 -1.783702 1.502499
H 5.226178 -2.148382 1.191603
H 3.822426 -4.561851 0.262048
H 4.982855 1.300908 -0.778003
H -6.098298 0.550884 1.026936
H -4.591068 0.141271 1.857918
H -6.588021 -1.792395 0.519657
H -6.096392 -1.743473 2.232179
H -3.734255 -2.404021 1.532583
H -4.932148 -3.644247 1.083112
H -4.879582 -2.998654 -1.267816
H -3.179405 -2.973371 -0.753031
H -5.048839 2.118533 -0.609690
H -3.877991 1.487216 -1.805998
H -3.497088 -0.843467 -1.977177
H -3.311610 2.203049 1.148742
H -2.736778 3.088532 -0.286997
H -0.088394 -0.775513 -0.440439
H -1.926166 0.226273 0.028917
H 2.128110 5.221015 -0.597328
H 0.391084 5.513752 -0.394162


