%chk=000163719.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163719

0 1
 O    1.356600       2.409900      0.7139000    
 O    4.762600      -1.266200      8.7200001E-02
 O    4.274100      0.9311000     -0.2288000    
 N   0.3098000     -0.6659000      0.1653000    
 N   0.6522000      -1.958900      0.3483000    
 N    1.251600       2.028600      -1.531000    
 C   -1.021700     -0.2919000      0.1597000    
 C   -3.339200     -0.8107000     -0.2836000    
 C    1.394300      0.1566000     -1.1000000E-03
 C   -1.996400      -1.188300     -0.2781000    
 C   -3.707100      0.4634000      0.1489000    
 C   -1.389600      0.9822000      0.5920000    
 C   -2.732400       1.359900      0.5868000    
 C    2.504100     -0.6489000      7.8599997E-02
 C   -4.365600      -1.787400     -0.7559000    
 C    1.986800      -1.940300      0.2943000    
 C   -5.138400      0.8902000      0.1528000    
 C    1.328300       1.570900     -0.2129000    
 C    3.870000     -0.2343000     -3.6499999E-02
 H   -1.723200      -2.181200     -0.6286000    
 H  -0.7170000       1.685600       1.055200    
 H   -3.005600       2.346800      0.9510000    
 H    2.519800      -2.872800      0.4153000    
 H   -3.914200      -2.740000      -1.054700    
 H   -5.083900      -2.007400      4.0500000E-02
 H   -4.898000      -1.395300      -1.628500    
 H   -5.730400      0.2477000      0.8126000    
 H   -5.254300       1.918200      0.5136000    
 H   -5.554300      0.8553000     -0.8593000    
 H    1.233600       1.392400      -2.321700    
 H    1.209700       3.021200      -1.736500    
 H    5.689400     -0.9551000      4.9000001E-03


%chk=000163719-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163719

0 1
O 0.123913 1.925953 -1.556869
O 4.688086 -1.489911 0.024785
O 4.495412 0.762454 -0.443668
N 0.255640 -0.511009 0.033303
N 0.597625 -1.805899 0.468474
N 2.361062 2.345826 -1.082199
C -1.143681 -0.157200 0.101962
C -3.477995 -0.819677 -0.263021
C 1.367335 0.243040 -0.322493
C -2.095022 -1.092436 -0.358089
C -3.907955 0.413763 0.316987
C -1.553865 1.054394 0.692140
C -2.931865 1.327114 0.787276
C 2.493998 -0.606512 -0.075471
C -4.487910 -1.830296 -0.775674
C 1.947663 -1.845315 0.387606
C -5.384102 0.744429 0.432827
C 1.226261 1.572350 -1.031631
C 3.922961 -0.341732 -0.197505
H -1.746641 -2.035630 -0.789410
H -0.817893 1.771818 1.064947
H -3.258548 2.269900 1.240386
H 2.492346 -2.742542 0.671162
H -3.988876 -2.727155 -1.179025
H -5.177286 -2.158124 0.026011
H -5.116274 -1.401983 -1.580240
H -5.927536 -0.016723 1.025409
H -5.537875 1.723625 0.916441
H -5.870769 0.778241 -0.561031
H 3.283348 1.988934 -0.772205
H 2.289278 3.223541 -1.597858
H 5.650768 -1.247837 -0.039628


