%chk=000044739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044739

0 1
 O   -2.355200      0.3873000      0.9282000    
 N    4.049700      0.8303000      0.2558000    
 N    3.209400      0.8570000      -1.988600    
 C    1.027800     -0.6664000     -0.1158000    
 C  -0.3240000     -0.7556000      0.2937000    
 C    1.614900      0.5993000     -0.2754000    
 C   -1.048800      0.4235000      0.5315000    
 C   -4.645900      0.3155000      0.2244000    
 C   -3.305300       1.020900      7.6399997E-02
 C   0.8798000       1.760400     -3.4699999E-02
 C  -0.4495000       1.672700      0.3679000    
 C   -5.711200      0.9350000     -0.6757000    
 C    1.752500      -1.845600     -0.3535000    
 C  -0.9112000      -2.021400      0.4533000    
 C    3.003300      0.7716000     -0.6933000    
 C    1.153200      -3.094800     -0.1899000    
 C  -0.1761000      -3.182500      0.2127000    
 C   -7.036900      0.2004000     -0.5569000    
 C    3.854400       1.354500       1.605100    
 C    5.419200      0.4378000     -6.5200001E-02
 H   -4.964700      0.3535000       1.273600    
 H   -4.521700     -0.7487000     -1.2500000E-02
 H   -2.980100      0.9755000     -0.9712000    
 H   -3.399100       2.072700      0.3700000    
 H    1.332100       2.741600     -0.1570000    
 H   -1.003200       2.587600      0.5605000    
 H   -5.379400      0.9070000      -1.720200    
 H   -5.856700       1.988400     -0.4095000    
 H    2.792900      -1.823400     -0.6689000    
 H   -1.947800      -2.125300      0.7665000    
 H    1.724700      -3.999300     -0.3768000    
 H  -0.6420000      -4.155500      0.3398000    
 H   -6.931700     -0.8491000     -0.8499000    
 H   -7.413500      0.2346000      0.4704000    
 H   -7.785500      0.6616000      -1.208700    
 H    4.805600       1.514600       2.124300    
 H    3.259200      0.6550000       2.200400    
 H    3.340100       2.320200       1.570600    
 H    5.936700      4.1000001E-02  0.8148000    
 H    5.978100       1.300000     -0.4416000    
 H    5.433100     -0.3509000     -0.8249000    
 H    4.209500      0.9873000      -2.167800    


%chk=000044739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044739

0 1
O -2.453591 -0.168306 -0.046817
N 4.069508 0.604887 0.315798
N 3.493721 1.469373 -1.886490
C 1.240529 -0.723031 -0.121857
C -0.183839 -0.947096 0.029877
C 1.714984 0.587874 -0.516535
C -1.099345 0.140018 -0.226612
C -4.830211 0.290069 -0.066191
C -3.445489 0.890060 -0.317449
C 0.780220 1.593987 -0.783228
C -0.621389 1.390517 -0.637316
C -5.958989 1.321028 -0.303112
C 2.119545 -1.839512 0.089372
C -0.666244 -2.241393 0.407256
C 3.167747 0.919996 -0.727386
C 1.624508 -3.095902 0.446953
C 0.220688 -3.299798 0.617093
C -7.361318 0.721288 -0.064207
C 3.666594 0.591134 1.734152
C 5.509379 0.767493 0.074805
H -4.876900 -0.086753 0.973584
H -4.970809 -0.582486 -0.732536
H -3.342968 1.230795 -1.368907
H -3.255578 1.753050 0.354733
H 1.152200 2.563189 -1.129317
H -1.302685 2.218279 -0.850795
H -5.895114 1.708582 -1.340346
H -5.810984 2.192305 0.367064
H 3.194730 -1.688015 -0.046671
H -1.745310 -2.380377 0.516571
H 2.316235 -3.933338 0.592964
H -0.157600 -4.287809 0.901673
H -7.548650 -0.130645 -0.744184
H -7.462445 0.351209 0.973217
H -8.154559 1.471557 -0.235151
H 4.026742 1.501981 2.257822
H 4.079049 -0.295066 2.253000
H 2.571208 0.559226 1.817218
H 6.067026 0.239682 0.867418
H 5.832432 1.832157 0.078803
H 5.790551 0.322786 -0.896922
H 4.493119 1.755306 -1.945445


