%chk=000112941.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112941

0 1
 O    3.498400     -5.8899999E-02 -8.5000005E-03
 O    3.045500      -2.312900     -0.1257000    
 O   -3.896200      -1.297300     -0.4127000    
 O   -5.647600      0.6814000      -1.654500    
 N   -2.694300      0.3596000      0.7491000    
 C    5.632100       1.014400     -0.1796000    
 C    7.131100      0.8182000     -0.3880000    
 C    4.884700     -0.3115000     -0.1917000    
 C    7.867900       2.147600     -0.4184000    
 C    1.270000     -0.7553000      0.2009000    
 C   -1.363000     -1.5000000E-02  0.5647000    
 C    2.687000      -1.152700      4.6000001E-03
 C   0.2755000      -1.535900     -0.3517000    
 C   0.9918000      0.3832000      0.9294000    
 C   -1.055700      -1.161600     -0.1678000    
 C  -0.3392000      0.7573000       1.113200    
 C   -5.124300      0.4266000      0.6842000    
 C   -3.846700     -0.2836000      0.2790000    
 C   -5.995300      0.8352000     -0.4845000    
 C   -7.321600       1.461200     -0.1418000    
 H    5.222300       1.667200     -0.9607000    
 H    5.444200       1.530300      0.7704000    
 H    7.540600      0.1965000      0.4166000    
 H    7.310300      0.2883000      -1.330800    
 H    5.249000     -0.9548000      0.6180000    
 H    5.038400     -0.8204000      -1.150700    
 H    8.939800       1.983500     -0.5671000    
 H    7.734700       2.691400      0.5223000    
 H    7.504400       2.779200      -1.235300    
 H   0.5037000      -2.428800     -0.9265000    
 H    1.769500      0.9940000       1.377800    
 H   -1.791200      -1.810600     -0.6219000    
 H  -0.5643000       1.651800       1.688800    
 H   -2.828300       1.205200       1.298900    
 H   -4.906200       1.326300       1.268500    
 H   -5.692400     -0.2634000       1.317700    
 H   -7.918400      0.7575000      0.4436000    
 H   -7.863300       1.704200      -1.060200    
 H   -7.157000       2.380300      0.4257000    


%chk=000112941-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112941

0 1
O 3.476444 -0.031065 -0.090408
O 3.112772 -2.332834 0.006160
O -4.009596 -1.925890 0.609978
O -4.579293 2.300360 0.129149
N -2.913002 0.160172 0.500368
C 5.650159 1.046286 -0.258315
C 7.182278 0.877937 -0.395329
C 4.936562 -0.305125 -0.218810
C 7.923306 2.231674 -0.427613
C 1.217153 -0.800437 0.138472
C -1.550980 -0.216633 0.377085
C 2.654277 -1.161350 0.016055
C 0.264883 -1.844756 0.261980
C 0.769303 0.547239 0.134028
C -1.108956 -1.569473 0.380427
C -0.599313 0.835581 0.251381
C -5.372312 0.080324 0.795181
C -4.023934 -0.659681 0.609389
C -5.545111 1.483523 0.210141
C -6.936556 1.860761 -0.256235
H 5.261257 1.641497 -1.107108
H 5.416133 1.609823 0.665535
H 7.563434 0.267720 0.448608
H 7.409931 0.309144 -1.319653
H 5.256152 -0.922737 0.641355
H 5.102835 -0.892994 -1.141141
H 9.014888 2.090515 -0.527464
H 7.739675 2.806381 0.499563
H 7.582642 2.850437 -1.278950
H 0.624244 -2.879169 0.262607
H 1.501218 1.353381 0.037366
H -1.840894 -2.373396 0.472234
H -0.941838 1.877525 0.245744
H -3.133360 1.173014 0.458378
H -5.537535 0.167808 1.891207
H -6.160735 -0.596425 0.425985
H -7.178590 1.302400 -1.181885
H -6.994322 2.939856 -0.463999
H -7.697319 1.576311 0.493835


