%chk=000122560.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122560

0 1
 O  -0.5763000      -2.273300      0.5435000    
 O  -0.4926000       2.225400     -0.7208000    
 N    1.480200       1.053700     -0.4528000    
 N  -0.6223000     -2.7799999E-02 -0.1172000    
 N    2.023700      -2.547800      0.1514000    
 C    2.148700     -0.1601000     -0.2837000    
 C    1.484000      -1.301800     -2.1500001E-02
 C  -1.3000000E-03  -1.258200      0.1431000    
 C   7.5499997E-02   1.165400     -0.4336000    
 C    2.252700       2.272200     -0.7215000    
 C   -2.067900      2.7500000E-02 -3.3300001E-02
 C    3.657900     -0.1419000     -0.4225000    
 C    2.430900      -3.019200       1.466700    
 C    1.987100      -3.542400     -0.9105000    
 C   -2.813600      -1.105600     -0.3284000    
 C   -2.686600       1.212300      0.3413000    
 C    2.600600       2.916800      0.5802000    
 C   -4.205200      -1.052800     -0.2474000    
 C   -4.078200       1.265000      0.4223000    
 C   -4.837400      0.1324000      0.1280000    
 C    2.240200       4.160400      0.9167000    
 H    3.149100       2.075300      -1.314200    
 H    1.651600       2.952900      -1.336600    
 H    4.102900      -1.122900     -0.2239000    
 H    4.127800      0.5441000      0.2865000    
 H    3.953500      0.1181000      -1.444100    
 H    1.641800      -3.634800       1.911200    
 H    3.342700      -3.621700       1.396300    
 H    2.639400      -2.185000       2.146000    
 H    1.134400      -4.215300     -0.7737000    
 H    1.900200      -3.071800      -1.896200    
 H    2.904200      -4.140900     -0.9118000    
 H   -2.387700      -2.026300     -0.7113000    
 H   -2.156500       2.095000      0.6798000    
 H    3.192100       2.352500       1.295800    
 H   -4.798200      -1.928500     -0.4951000    
 H   -4.570700       2.180900      0.7357000    
 H   -5.920800      0.1734000      0.1917000    
 H    2.529200       4.575500       1.876100    
 H    1.654500       4.782300      0.2489000    


%chk=000122560-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122560

0 1
O -0.584217 -2.338094 0.441862
O -0.457577 2.229792 -0.711899
N 1.549030 1.030510 -0.576176
N -0.548371 -0.049300 -0.127880
N 2.286637 -2.544825 0.248999
C 2.249556 -0.162699 -0.338502
C 1.565426 -1.320798 0.009820
C 0.099741 -1.317983 0.133122
C 0.133548 1.139179 -0.481804
C 2.254329 2.316912 -0.875468
C -2.002065 0.018380 -0.017237
C 3.751792 -0.160333 -0.486404
C 2.213498 -3.040254 1.647266
C 2.050857 -3.606747 -0.761317
C -2.800034 -0.819032 -0.826460
C -2.595572 0.905338 0.907196
C 2.605093 3.087208 0.386522
C -4.205716 -0.766416 -0.707750
C -4.001791 0.957053 1.016638
C -4.810130 0.121371 0.211582
C 2.054080 4.281730 0.711081
H 3.157893 2.080983 -1.461399
H 1.574213 2.915309 -1.501141
H 4.106957 -1.156931 -0.182175
H 4.232448 0.612221 0.139941
H 4.057088 0.017218 -1.535190
H 1.204227 -3.415609 1.919613
H 2.944660 -3.860584 1.771950
H 2.489072 -2.227149 2.341573
H 1.029429 -4.040520 -0.700390
H 2.201405 -3.193017 -1.774014
H 2.789184 -4.415701 -0.607968
H -2.325945 -1.512235 -1.526757
H -1.964820 1.556588 1.519280
H 3.346633 2.626432 1.055802
H -4.826141 -1.418678 -1.331787
H -4.464170 1.648797 1.729050
H -5.901459 0.161621 0.300396
H 2.337016 4.813995 1.626363
H 1.293794 4.749269 0.074765


