%chk=000112904.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112904

0 1
 O   0.1853000      -2.895700     -0.2891000    
 N   0.5482000     -0.6811000      0.5267000    
 N    2.294000      -2.096900     -0.2205000    
 C    1.708400       1.477000      0.7692000    
 C    1.415300      0.1029000       1.362100    
 C    2.365600       1.394100     -0.6103000    
 C  -0.7851000     -0.1630000      0.2251000    
 C    2.590900       2.776800      -1.202100    
 C   0.9310000      -1.948900     -2.5100000E-02
 C   -1.341700     -0.5114000     -0.9691000    
 C   -1.378900      0.6329000       1.158300    
 C   -2.613700     -1.6799999E-02  -1.257300    
 C   -2.650900       1.127400      0.8700000    
 C   -3.268300      0.8026000     -0.3378000    
 H    2.381000       2.010700       1.452600    
 H   0.8036000       2.089900      0.7024000    
 H   0.9776000      0.1968000       2.362000    
 H    2.360300     -0.4182000       1.545800    
 H    1.744500      0.8218000      -1.307300    
 H    3.329900      0.8797000     -0.5312000    
 H    3.236600       3.379800     -0.5557000    
 H    3.071700       2.696100      -2.182100    
 H    1.642200       3.307300      -1.332100    
 H  -0.8433000      -1.114200      -1.719600    
 H  -0.9490000      0.8905000       2.117700    
 H   -3.091200     -0.2624000      -2.201500    
 H   -3.163300       1.761400       1.587800    
 H   -4.258300       1.188500     -0.5626000    
 H    2.955800      -1.335500     -0.1326000    
 H    2.668300      -2.971600     -0.5737000    


%chk=000112904-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112904

0 1
O 0.235245 -2.812413 -0.611295
N 0.482988 -0.655804 0.360904
N 2.365060 -1.972685 -0.289827
C 1.765769 1.525213 0.707925
C 1.346925 0.146105 1.271949
C 2.671390 1.454068 -0.542366
C -0.888401 -0.247158 0.182348
C 3.030716 2.851295 -1.091372
C 0.972472 -1.864191 -0.206948
C -1.682195 -0.746760 -0.891002
C -1.471745 0.716278 1.054243
C -3.006064 -0.298736 -1.069511
C -2.801180 1.153485 0.865873
C -3.582659 0.652827 -0.196557
H 2.292085 2.076720 1.514042
H 0.860127 2.112211 0.462369
H 0.815993 0.282675 2.232841
H 2.237784 -0.455560 1.515950
H 2.158568 0.869579 -1.331848
H 3.611563 0.915042 -0.290412
H 3.559675 3.455082 -0.330092
H 3.682405 2.780687 -1.981135
H 2.118042 3.403131 -1.383577
H -1.273890 -1.504812 -1.559860
H -0.907898 1.135833 1.891338
H -3.592312 -0.704617 -1.901904
H -3.220414 1.892534 1.558352
H -4.613254 0.993434 -0.341914
H 2.994783 -1.173627 -0.271817
H 2.704923 -2.859337 -0.656699


