%chk=000081656.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081656

0 1
 O   -1.655000      1.9000000E-03 -0.7949000    
 O   -1.982600     -4.9000001E-03   1.496900    
 O    4.423800       1.097000      0.3152000    
 O    4.424100      -1.098200      0.3086000    
 N   -3.815200     -8.9999998E-04  6.4800002E-02
 N    3.825900     -3.0000001E-04  0.2027000    
 C  -0.2790000      1.4000000E-03 -0.5442000    
 C    2.428900      1.9999999E-04 -5.1899999E-02
 C   0.3700000       1.209100     -0.4225000    
 C   0.3705000      -1.206900     -0.4302000    
 C    1.742400       1.208400     -0.1731000    
 C    1.742800      -1.207500     -0.1805000    
 C   -2.446900     -1.6000000E-03  0.3572000    
 C   -4.793900     -4.3000001E-03   1.142700    
 C   -4.355700      6.6999998E-03  -1.290800    
 H  -0.1649000       2.148800     -0.5177000    
 H  -0.1642000      -2.146100     -0.5311000    
 H    2.243800       2.168300     -7.9099998E-02
 H    2.244400      -2.167900     -9.2299998E-02
 H   -5.415400      0.8918000       1.056900    
 H   -4.314000     -1.1200000E-02   2.124500    
 H   -5.420500     -0.8958000       1.046700    
 H   -4.971800      0.9020000      -1.415300    
 H   -4.977000     -0.8839000      -1.423300    
 H   -3.575300      7.8999996E-03  -2.054000    


%chk=000081656-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081656

0 1
O -1.689302 0.002845 -0.670711
O -2.131106 -0.006980 1.653334
O 4.541890 1.140252 0.138256
O 4.541566 -1.141569 0.131170
N -3.878646 -0.000358 0.074465
N 3.938876 -0.000361 0.066183
C -0.292906 0.001831 -0.422904
C 2.465543 0.000381 -0.102376
C 0.390588 1.234208 -0.336664
C 0.390208 -1.231286 -0.344489
C 1.788349 1.238203 -0.174820
C 1.787958 -1.236747 -0.182616
C -2.565485 -0.002200 0.477164
C -4.928329 -0.004113 1.108152
C -4.323391 0.006440 -1.328733
H -0.174557 2.168602 -0.395301
H -0.175218 -2.165121 -0.409027
H 2.358871 2.167375 -0.102526
H 2.358190 -2.166534 -0.116141
H -5.564399 0.896400 1.014174
H -4.454809 -0.010314 2.100775
H -5.567341 -0.901412 1.004244
H -4.935878 0.906234 -1.530414
H -4.940804 -0.888394 -1.537194
H -3.454668 0.006618 -1.998702


