%chk=000129816.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129816

0 1
 O   0.1731000       1.245500     -0.5290000    
 O   0.3391000      -1.307400      0.5543000    
 O   0.1047000       2.141500       1.621800    
 O   0.3391000      -2.205900      -1.596600    
 N   -7.160900      0.8519000     -0.3667000    
 C   -5.892700      0.3598000      0.1690000    
 C   -5.804800      -1.158100     -9.9999997E-05
 C   -4.712700       1.035800     -0.5426000    
 C   -4.533100      -1.693200      0.6586000    
 C   -3.382400      0.4004000     -0.2166000    
 C   -3.298100     -0.9012000      0.3105000    
 C   -2.203200       1.105100     -0.5034000    
 C   -2.036900      -1.456800      0.5742000    
 C  -0.9557000      0.5374000     -0.2464000    
 C  -0.8726000     -0.7420000      0.2946000    
 C   0.6322000       2.038700      0.5246000    
 C   0.8711000      -2.039200     -0.5094000    
 C    1.861900       2.777500      0.1413000    
 C    2.188500      -2.622700     -0.1510000    
 C    2.102800       4.011300      0.7099000    
 C    2.724800       2.207400     -0.7720000    
 C    2.567000      -3.818300     -0.7266000    
 C    2.993200      -1.951400      0.7467000    
 C    3.257800       4.705500      0.3496000    
 C    3.879800       2.901500      -1.132200    
 C    3.804600      -4.366600     -0.3897000    
 C    4.230600      -2.499800       1.083500    
 C    4.146300       4.150500     -0.5715000    
 C    4.636400      -3.707300      0.5153000    
 H   -5.859200      0.6006000       1.239200    
 H   -5.803100      -1.419100      -1.067200    
 H   -6.675900      -1.652500      0.4473000    
 H   -4.689500       2.098100     -0.2672000    
 H   -4.844700      0.9814000      -1.631700    
 H   -4.399300      -2.740800      0.3634000    
 H   -4.654600      -1.669900       1.748900    
 H   -2.260200       2.103700     -0.9313000    
 H   -1.964100      -2.454800       1.001400    
 H   -7.225600      0.6322000      -1.360100    
 H   -7.187800       1.868800     -0.3012000    
 H    1.417000       4.455100       1.425300    
 H    2.546400       1.230400      -1.211300    
 H    1.926700      -4.342600      -1.429700    
 H    2.705700      -1.003300       1.191100    
 H    3.465200       5.678400      0.7855000    
 H    4.573400       2.468100      -1.846800    
 H    4.120300      -5.307100     -0.8315000    
 H    4.880000      -1.985000       1.785500    
 H    5.046000       4.690700     -0.8516000    
 H    5.600300      -4.133900      0.7772000    


%chk=000129816-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129816

0 1
O 0.019484 1.248545 -0.580844
O 0.174181 -1.345872 0.617594
O 0.523351 1.659924 1.676653
O 0.650587 -1.787732 -1.639846
N -7.482381 0.845328 -0.357583
C -6.167113 0.374064 0.127662
C -6.072433 -1.159830 -0.008627
C -4.957314 1.024221 -0.602614
C -4.795486 -1.699186 0.670782
C -3.612892 0.391507 -0.252787
C -3.536986 -0.913435 0.312008
C -2.415802 1.102401 -0.515066
C -2.265169 -1.480653 0.572449
C -1.164226 0.532704 -0.241669
C -1.088189 -0.772778 0.291699
C 0.840715 1.746412 0.473159
C 1.015723 -1.784403 -0.446803
C 2.073033 2.378422 -0.073540
C 2.334354 -2.235539 0.076845
C 2.955642 3.010830 0.841511
C 2.380665 2.358486 -1.459320
C 3.251437 -2.810697 -0.841922
C 2.691383 -2.093355 1.443535
C 4.134977 3.623701 0.373149
C 3.563724 2.972137 -1.921600
C 4.515335 -3.245819 -0.395852
C 3.959221 -2.528529 1.883090
C 4.440668 3.605924 -1.009238
C 4.871093 -3.105808 0.967506
H -6.109133 0.626817 1.205817
H -6.069286 -1.425194 -1.086959
H -6.971715 -1.616512 0.441561
H -4.930044 2.111747 -0.392305
H -5.132762 0.923621 -1.695752
H -4.652591 -2.767491 0.419129
H -4.933032 -1.660749 1.771716
H -2.449113 2.113192 -0.936386
H -2.181077 -2.487610 0.995859
H -7.658540 0.599845 -1.339894
H -7.653131 1.843583 -0.189715
H 2.698794 3.009081 1.906104
H 1.696012 1.862431 -2.152382
H 2.954904 -2.903877 -1.892016
H 1.978737 -1.640943 2.138426
H 4.814575 4.112782 1.079229
H 3.803810 2.955618 -2.990102
H 5.221867 -3.691110 -1.104488
H 4.237954 -2.416639 2.936358
H 5.358401 4.081840 -1.372840
H 5.854690 -3.443004 1.313610


