%chk=000086234.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086234

0 1
 O   -5.315900     -0.2636000      0.7013000    
 O    6.641800     -0.4727000     -0.2557000    
 N   -1.706400      0.4800000      0.3884000    
 N    1.120000      7.2200000E-02  0.3193000    
 N   -5.585900     -1.3000000E-03  -1.549500    
 N   -7.458800     -0.2560000     -8.4299996E-02
 C   -1.152200     -0.8788000      0.3499000    
 C  -0.8103000       1.363400       1.144600    
 C   0.2228000     -0.8935000     -0.3226000    
 C   0.5754000       1.424000      0.4977000    
 C   -3.042100      0.4727000      0.9839000    
 C   -4.001500     -0.3725000      0.1678000    
 C    2.505100     -6.4999998E-02  0.1750000    
 C   -4.150000      9.7599998E-02  -1.264900    
 C    3.169700      -1.226000      0.6175000    
 C    3.277200      0.9547000     -0.4167000    
 C   -6.133600     -0.1633000     -0.3854000    
 C    4.550500      -1.361900      0.4744000    
 C    4.658100      0.8188000     -0.5600000    
 C    5.294800     -0.3396000     -0.1145000    
 C    7.341100      0.6108000     -0.8663000    
 H   -1.771800      -1.560500     -0.2395000    
 H   -1.071500      -1.295900       1.362700    
 H  -0.7155000       1.021400       2.184200    
 H   -1.219700       2.380600       1.171900    
 H   0.6251000      -1.911500     -0.2622000    
 H   0.1271000     -0.6449000      -1.387500    
 H   0.5040000       1.929300     -0.4742000    
 H    1.223900       2.024500       1.148100    
 H   -3.023200      0.1085000       2.020100    
 H   -3.434000       1.497400       1.039700    
 H   -3.757300      -1.439000      0.2132000    
 H   -3.835100       1.137700      -1.407400    
 H   -3.570700     -0.5276000      -1.951900    
 H    2.610800      -2.031300       1.089100    
 H    2.816400       1.865700     -0.7904000    
 H    5.041400      -2.265600      0.8253000    
 H    5.174600       1.649200      -1.029200    
 H   -7.774700     -0.3856000      0.8707000    
 H   -8.168900     -0.1985000     -0.8060000    
 H    7.265300       1.526100     -0.2695000    
 H    7.021000      0.7631000      -1.902600    
 H    8.400500      0.3358000     -0.8964000    


%chk=000086234-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086234

0 1
O -5.452023 -0.709175 0.519181
O 6.799191 -0.321182 -0.224726
N -1.754650 0.090034 0.350555
N 1.141578 -0.019094 0.380276
N -5.708736 0.770431 -1.290876
N -7.490890 0.423858 0.298719
C -1.043703 -1.176941 0.650880
C -0.949415 1.237226 0.834228
C 0.331416 -1.189703 -0.035243
C 0.435914 1.257863 0.162643
C -3.150230 0.102971 0.846692
C -4.092174 -0.637789 -0.123186
C 2.552716 -0.061229 0.178864
C -4.358009 0.142472 -1.452631
C 3.298894 -1.228665 0.531600
C 3.281983 1.049942 -0.327099
C -6.236518 0.226908 -0.224544
C 4.692257 -1.279582 0.378811
C 4.689870 1.010802 -0.466612
C 5.402328 -0.158725 -0.120451
C 7.561293 0.814642 -0.739926
H -1.637215 -2.030841 0.277151
H -0.906294 -1.308973 1.754236
H -0.807418 1.198479 1.943948
H -1.480492 2.175100 0.588129
H 0.857761 -2.120810 0.227112
H 0.178420 -1.184214 -1.139844
H 0.308441 1.477306 -0.924527
H 1.025542 2.075862 0.613153
H -3.246293 -0.345345 1.864876
H -3.491584 1.153178 0.917757
H -3.773252 -1.680367 -0.285539
H -3.580002 0.908731 -1.612948
H -4.361466 -0.528226 -2.332437
H 2.787927 -2.098157 0.957696
H 2.760449 1.959303 -0.639077
H 5.255636 -2.175913 0.656872
H 5.205687 1.893095 -0.858658
H -7.752522 -0.021125 1.172281
H -8.142616 1.022484 -0.197867
H 7.452940 1.704602 -0.088143
H 7.252166 1.075944 -1.771767
H 8.610591 0.483724 -0.741461


