%chk=000075313.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075313

0 1
 O   0.2605000     -0.6159000     -9.9600002E-02
 O   -4.396500       1.901200       1.001800    
 O   -1.112100      -2.100000      0.9906000    
 O   -4.032400       1.600700      -1.219100    
 N   -1.899800     -0.7202000     -0.6998000    
 C   -3.277500      -1.155800     -0.6997000    
 C    2.588500     -0.2809000      0.3163000    
 C   -4.136400     -0.3372000      0.2553000    
 C    1.360300      -1.047800      0.7095000    
 C    3.419800     -0.7770000     -0.6818000    
 C    2.884100      0.9194000      0.9531000    
 C  -0.9360000      -1.229400      0.1448000    
 C    4.561500     -6.3900001E-02  -1.047600    
 C    4.025800       1.632300      0.5871000    
 C    4.864400       1.140600     -0.4132000    
 C   -4.174000       1.133900     -9.7700000E-02
 H   -3.643000      -1.062300      -1.727700    
 H   -3.316800      -2.213700     -0.4187000    
 H   -3.739300     -0.4387000       1.272400    
 H   -5.166300     -0.7093000      0.2489000    
 H    1.523500      -2.123600      0.5682000    
 H    1.129700     -0.8775000       1.768700    
 H   -1.625500      5.5000000E-03  -1.355000    
 H    3.192100      -1.713100      -1.184200    
 H    2.236800       1.312700       1.732000    
 H    5.214200     -0.4464000      -1.826900    
 H    4.261600       2.570700       1.080600    
 H    5.753100       1.696000     -0.6982000    
 H   -4.425300       2.856600      0.7807000    


%chk=000075313-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000075313

0 1
O 0.315237 -0.577884 -0.012355
O -5.311451 1.949920 0.362107
O -1.005583 -2.305594 0.910585
O -3.627584 1.629642 -1.200429
N -1.908617 -0.640366 -0.485873
C -3.287736 -1.131709 -0.445734
C 2.710391 -0.364129 0.302287
C -4.231798 -0.204481 0.350422
C 1.499353 -1.179865 0.683307
C 3.437175 -0.662804 -0.877974
C 3.139244 0.712452 1.118367
C -0.894943 -1.269871 0.199168
C 4.567909 0.102501 -1.239121
C 4.270410 1.480097 0.761535
C 4.987346 1.176318 -0.419085
C -4.324973 1.180183 -0.260451
H -3.666394 -1.247758 -1.478243
H -3.267178 -2.126169 0.030317
H -3.880337 -0.099949 1.394473
H -5.249596 -0.633961 0.405041
H 1.582634 -2.234465 0.365646
H 1.305742 -1.159933 1.770678
H -1.706709 0.210377 -1.015290
H 3.112297 -1.494149 -1.515230
H 2.583127 0.950453 2.033308
H 5.121835 -0.137702 -2.153470
H 4.593041 2.309270 1.401010
H 5.866480 1.768927 -0.696453
H -5.334322 2.857551 -0.047742


