%chk=000164509.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164509

0 1
 O   -3.663100       3.010300     -0.2087000    
 O   -1.900400       3.424600       1.381100    
 O   -2.015900      -4.009900       1.228400    
 N  -0.7310000      -2.421300      0.1172000    
 N   0.5172000      -1.867200      7.9800002E-02
 N    5.864100       1.619300     -0.1907000    
 C   -1.585200      -2.397800      -1.086000    
 C   -1.482200      -1.110000      -1.916000    
 C   -1.567900      0.1045000      -1.033400    
 C  -0.5352000      0.3607000     -0.1028000    
 C   0.6234000     -0.5736000     -3.2200001E-02
 C   -1.288200      -3.611700      -1.971900    
 C   -2.660300      0.9783000      -1.114900    
 C  -0.5852000       1.468600      0.7529000    
 C   -2.683400       2.066800     -0.2658000    
 C   -1.676600       2.303900      0.6417000    
 C    1.999700      1.5000000E-03 -7.4900001E-02
 C   -1.042300      -3.255100       1.193900    
 C   -3.159600       3.867900      0.8357000    
 C    2.230200       1.183600     -0.7694000    
 C    3.038300     -0.6495000      0.5811000    
 C  -0.1010000      -3.178900       2.373900    
 C    3.516500       1.721800     -0.8084000    
 C    4.324500     -0.1113000      0.5421000    
 C    4.563600       1.074400     -0.1527000    
 H   -2.620400      -2.492700     -0.7310000    
 H   -2.279400      -1.095000      -2.669900    
 H  -0.5397000      -1.072400      -2.478300    
 H   -1.433400      -4.548600      -1.424000    
 H   -1.949000      -3.628500      -2.844900    
 H  -0.2519000      -3.596600      -2.327200    
 H   -3.467800      0.8071000      -1.818800    
 H   0.1906000       1.667000       1.484300    
 H   -3.898200       3.906500       1.644600    
 H   -3.030000       4.877500      0.4290000    
 H    1.444000       1.699300      -1.313000    
 H    2.874500      -1.569000       1.136200    
 H   1.6700000E-02  -2.142000       2.701100    
 H   0.8715000      -3.599200       2.103700    
 H  -0.5125000      -3.757200       3.206400    
 H    3.691400       2.643400      -1.357800    
 H    5.131800     -0.6238000       1.059000    
 H    6.624000       1.148900      0.2827000    
 H    6.038500       2.477800     -0.6960000    


%chk=000164509-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164509

0 1
O -3.777301 3.089386 -0.282014
O -1.958178 3.651346 1.177802
O -2.119892 -3.948282 1.219265
N -0.781498 -2.368559 0.166720
N 0.541154 -1.807277 0.097628
N 6.014544 1.561932 -0.116605
C -1.663323 -2.434562 -1.048205
C -1.513473 -1.152364 -1.898818
C -1.607261 0.110682 -1.065715
C -0.523316 0.442153 -0.200720
C 0.643364 -0.485153 -0.071646
C -1.367311 -3.704953 -1.876802
C -2.746726 0.957148 -1.152427
C -0.561092 1.626385 0.600478
C -2.769494 2.098010 -0.348728
C -1.698157 2.424327 0.510329
C 2.025106 0.058750 -0.075763
C -1.049393 -3.259197 1.215410
C -3.367500 3.979612 0.840074
C 2.330768 1.320323 -0.661188
C 3.103155 -0.689507 0.482344
C -0.026757 -3.309893 2.338912
C 3.643210 1.820976 -0.681459
C 4.414605 -0.198481 0.475555
C 4.712172 1.071935 -0.108278
H -2.690564 -2.500425 -0.645747
H -2.300288 -1.170027 -2.673543
H -0.539649 -1.189406 -2.426032
H -1.541331 -4.604484 -1.264186
H -2.035303 -3.753608 -2.756985
H -0.320318 -3.705061 -2.230538
H -3.578274 0.717885 -1.820733
H 0.265141 1.883328 1.267221
H -4.010165 3.768931 1.715547
H -3.422180 5.026090 0.503834
H 1.531723 1.909843 -1.122651
H 2.881993 -1.667824 0.919177
H 0.034186 -2.341853 2.868217
H 0.979313 -3.522134 1.936297
H -0.330986 -4.094876 3.047355
H 3.849918 2.792685 -1.146273
H 5.223208 -0.790104 0.922408
H 6.776521 1.023815 0.285990
H 6.230348 2.464890 -0.529408


