%chk=000013338.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013338

0 1
 O   0.3249000       1.043300     -0.2833000    
 N    2.069100       3.160400      0.3926000    
 C  -0.5423000      0.3385000      -1.164600    
 C   8.8200003E-02 -0.9491000      -1.729600    
 C   -1.905200      0.1423000     -0.5268000    
 C   -1.023200      -1.213000       1.471900    
 C    1.170700      -1.592600     -0.8925000    
 C   -2.127800     -0.5592000      0.6754000    
 C  -0.5044000      -2.493200      0.8121000    
 C   0.8970000      -2.320300      0.2797000    
 C   -3.016500      0.6987000      -1.195400    
 C   -3.444600     -0.6831000       1.164500    
 C    2.508800      -1.450900      -1.307600    
 C  -0.2013000       2.319100      3.3500001E-02
 C    1.964100      -2.883400       1.004300    
 C   0.7510000       3.016100      0.9921000    
 C   -4.311400      0.5696000     -0.6944000    
 C   -4.525800     -0.1230000      0.4878000    
 C    3.554900      -2.017800     -0.5808000    
 C    3.282100      -2.735400      0.5763000    
 C    2.998700       3.794100       1.331000    
 C    1.992900       3.938800     -0.8461000    
 H  -0.6809000      0.9826000      -2.045700    
 H   0.5369000     -0.6887000      -2.699400    
 H  -0.6774000      -1.692100      -1.987700    
 H  -0.2288000     -0.4865000       1.678500    
 H   -1.415200      -1.478200       2.463300    
 H   -1.164000      -2.859300      1.5799999E-02
 H  -0.4993000      -3.293600       1.564300    
 H   -2.879700       1.245100      -2.126600    
 H   -3.637700      -1.227000       2.086900    
 H    2.747600     -0.8889000      -2.208000    
 H  -0.3993000       2.907500     -0.8692000    
 H   -1.151600       2.228600      0.5713000    
 H    1.772700      -3.441900       1.918000    
 H   0.3316000       3.985700       1.289100    
 H   0.8385000       2.400800       1.896800    
 H   -5.148000       1.008500      -1.229800    
 H   -5.531100     -0.2306000      0.8837000    
 H    4.579800      -1.896200     -0.9183000    
 H    4.092700      -3.176800       1.148300    
 H    3.083800       3.200300       2.248000    
 H    2.683600       4.807900       1.603600    
 H    4.004600       3.848200      0.9000000    
 H    1.515400       3.376400      -1.654200    
 H    3.000600       4.163300      -1.216800    
 H    1.469200       4.892100     -0.7097000    


%chk=000013338-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013338

0 1
O 0.294023 0.962738 -0.110560
N 2.049350 3.545214 -0.016169
C -0.581679 0.297458 -1.088639
C 0.187423 -0.968257 -1.607573
C -2.005946 0.049445 -0.572380
C -1.216369 -1.324910 1.468293
C 1.223563 -1.599497 -0.682378
C -2.303024 -0.686239 0.616955
C -0.589937 -2.620137 0.822533
C 0.863896 -2.426673 0.422739
C -3.074313 0.599851 -1.324459
C -3.660176 -0.838180 0.999090
C 2.597234 -1.398415 -0.965982
C -0.137424 2.325191 0.236361
C 1.887413 -3.034219 1.192359
C 1.043676 3.014439 0.931768
C -4.422807 0.429466 -0.939929
C -4.717592 -0.295037 0.235036
C 3.610907 -2.000267 -0.188042
C 3.253852 -2.830367 0.897252
C 3.424029 3.531793 0.517498
C 1.675173 4.855674 -0.577187
H -0.690257 0.979216 -1.963297
H 0.713612 -0.665289 -2.530556
H -0.570997 -1.717098 -1.908244
H -0.403338 -0.598967 1.645758
H -1.645495 -1.589122 2.452038
H -1.202156 -2.916343 -0.051428
H -0.658609 -3.452652 1.546123
H -2.842251 1.176243 -2.229731
H -3.888015 -1.396661 1.915675
H 2.874044 -0.752774 -1.807927
H -0.432703 2.875142 -0.683486
H -1.019216 2.281502 0.911438
H 1.605171 -3.675062 2.037250
H 0.649880 3.816997 1.607991
H 1.527557 2.257259 1.575265
H -5.227855 0.863060 -1.543554
H -5.756095 -0.432308 0.556882
H 4.665599 -1.826346 -0.429860
H 4.027238 -3.312857 1.505796
H 3.691257 2.505219 0.823181
H 3.574461 4.210274 1.397018
H 4.130236 3.846582 -0.272655
H 0.673739 4.801878 -1.041017
H 2.394053 5.144370 -1.365047
H 1.652768 5.675769 0.188102


