%chk=000125549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125549

0 1
 O    3.360100      0.1416000      -1.582800    
 O   0.7385000      0.7887000       2.276600    
 O    4.769900      -1.224900      0.3916000    
 O   -4.175300      -1.882500      0.4210000    
 N   2.7300000E-02 -0.3801000     -0.3200000    
 N   -1.756300       1.272600     -0.4014000    
 N   -1.254600      -2.169500      0.1364000    
 N   -3.951200      0.3862000      3.5000001E-03
 N   -3.593600       2.674900     -0.4323000    
 C    2.265600      0.2934000      0.5075000    
 C    1.206500      0.3976000     -0.5888000    
 C    3.517000      0.6996000     -0.2669000    
 C    1.962400     -9.2299998E-02  -1.821600    
 C    1.985100       1.168700       1.719300    
 C    4.811300      0.1920000      0.3426000    
 C   -1.258100      4.3400001E-02 -0.2456000    
 C  -2.3700001E-02  -1.737400     -8.0100000E-02
 C   -2.028400      -1.048100      3.1500001E-02
 C   -3.464700     -0.9159000      0.1732000    
 C   -3.137900       1.391800     -0.2638000    
 H    2.344400     -0.7494000      0.8404000    
 H   0.9203000       1.445700     -0.7371000    
 H    3.569400       1.789700     -0.3804000    
 H    1.840800      -1.161100      -2.023600    
 H    1.660100      0.4533000      -2.721500    
 H    1.924300       2.226600       1.444700    
 H    2.761100       1.059600       2.483200    
 H    4.960000      0.5826000       1.353500    
 H    5.662900      0.4768000     -0.2835000    
 H   0.8608000      -2.360100     -7.6800004E-02
 H   -1.190100       2.089000     -0.6065000    
 H   0.8170000     -0.1346000       2.571700    
 H    5.609800      -1.522400      0.7807000    
 H   -2.959300       3.439100     -0.6379000    
 H   -4.580600       2.895200     -0.3572000    


%chk=000125549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125549

0 1
O 3.614082 0.737604 -1.450639
O 0.475891 2.414648 1.383333
O 3.490974 -1.719256 0.357035
O -3.988609 -2.344691 0.217487
N 0.254496 -0.493575 -0.563154
N -1.604805 1.081963 -0.022772
N -0.926541 -2.456286 -0.448817
N -3.764991 -0.001224 0.249414
N -3.555658 2.326460 0.457176
C 2.193415 0.804575 0.508796
C 1.334739 0.483543 -0.770900
C 3.673581 0.685183 0.028729
C 2.371686 0.052047 -1.845217
C 1.906063 2.220777 1.040116
C 4.393803 -0.570958 0.536089
C -1.063310 -0.175339 -0.251042
C 0.279292 -1.911877 -0.655949
C -1.793664 -1.372129 -0.195694
C -3.240199 -1.337408 0.101684
C -2.999628 1.078000 0.217578
H 1.970769 0.046112 1.280414
H 0.851375 1.420282 -1.108109
H 4.282303 1.562917 0.319270
H 2.519275 -1.040783 -1.845805
H 2.118643 0.404434 -2.856774
H 2.110365 2.976286 0.261916
H 2.530311 2.451812 1.926160
H 4.650198 -0.435088 1.609862
H 5.327438 -0.700748 -0.047238
H 1.199751 -2.458734 -0.832745
H -0.986301 1.846850 0.304107
H 0.283685 1.982125 2.252963
H 3.934050 -2.551989 0.652909
H -3.086988 3.188621 0.189146
H -4.554691 2.335645 0.650268


