%chk=000102354.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102354

0 1
 O    4.142100       1.809600     -0.6578000    
 O    5.145500     -0.1126000      -1.322100    
 N   0.8124000     -0.4819000      0.5807000    
 N  -0.4411000     -4.2900000E-02  3.9799999E-02
 C    3.303800     -0.2214000      0.2946000    
 C    1.880900      0.1425000     -0.1940000    
 C    3.531200      -1.743800      0.2285000    
 C    3.555700      0.2467000       1.738500    
 C    4.307000      0.4615000     -0.6403000    
 C   -1.507300     -0.6420000      0.8316000    
 C   -2.869900     -0.2568000      0.3201000    
 C   -3.489000      0.8822000      0.8158000    
 C   -3.487800      -1.045900     -0.6401000    
 C   -4.751400       1.239300      0.3419000    
 C   -4.750000     -0.6886000      -1.114100    
 C   -5.381900      0.4541000     -0.6231000    
 H    1.753800       1.233700     -0.1642000    
 H    1.790500     -0.1511000      -1.249700    
 H    2.866300      -2.284000      0.9111000    
 H    4.561300      -2.002800      0.5010000    
 H    3.356000      -2.126700     -0.7836000    
 H    2.956400     -0.3167000       2.461400    
 H    4.609900      0.1202000       2.011700    
 H    3.316500       1.309200       1.859900    
 H   0.8817000     -0.1774000       1.551300    
 H  -0.5180000     -0.3696000     -0.9238000    
 H   -1.427200     -0.3328000       1.883100    
 H   -1.423800      -1.737900      0.8320000    
 H    4.774100       2.247200      -1.267000    
 H   -3.006200       1.502000       1.566200    
 H   -3.003800      -1.936700      -1.030500    
 H   -5.243100       2.129200      0.7238000    
 H   -5.240800      -1.299600      -1.865900    
 H   -6.364600      0.7323000     -0.9923000    


%chk=000102354-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102354

0 1
O 4.342788 2.021979 0.023863
O 5.225866 0.359867 -1.322782
N 0.881080 -0.365507 0.645722
N -0.467673 0.102140 0.155498
C 3.348858 -0.194648 0.229365
C 1.933701 0.404129 -0.076864
C 3.463214 -1.631241 -0.329806
C 3.620335 -0.185147 1.764596
C 4.394755 0.697773 -0.451907
C -1.525162 -0.639577 0.908885
C -2.899188 -0.313310 0.343341
C -3.281529 1.035484 0.120351
C -3.820901 -1.346538 0.042883
C -4.562933 1.341472 -0.387886
C -5.107139 -1.041396 -0.460691
C -5.481602 0.304260 -0.677476
H 1.913829 1.486985 0.165012
H 1.736023 0.299639 -1.161650
H 2.632490 -2.235819 0.070430
H 4.425568 -2.091040 -0.045474
H 3.407791 -1.634138 -1.432287
H 2.944319 -0.903186 2.262007
H 4.656162 -0.502982 1.979607
H 3.472976 0.820520 2.194525
H 0.896823 -0.079209 1.641807
H -0.509255 -0.202573 -0.835217
H -1.462849 -0.306116 1.965998
H -1.350755 -1.739101 0.904909
H 5.040108 2.558918 -0.441714
H -2.560825 1.830971 0.338107
H -3.532378 -2.392724 0.203913
H -4.847346 2.386447 -0.556827
H -5.811037 -1.850492 -0.686422
H -6.476913 0.542659 -1.069315


