%chk=000043454.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043454

0 1
 O    1.157000      0.8298000      0.6014000    
 O    2.246400      0.5453000      -1.400000    
 N   -2.051800      0.8729000     -0.4602000    
 N    3.277000      8.6900003E-02  0.6282000    
 C   -2.997600     -0.1475000      6.0000003E-04
 C  -1.7500000E-02   1.274000     -0.1077000    
 C   -1.311900       1.415300      0.7056000    
 C  -0.7971000      0.2146000     -0.8993000    
 C   -4.034200      0.4706000      0.9794000    
 C   -3.767500     -0.7109000      -1.225900    
 C   -2.259200      -1.241600      0.6711000    
 C   -4.838900       1.650500      0.4379000    
 C   -4.764700      -1.827200     -0.9180000    
 C    2.231500      0.4917000     -0.1748000    
 C    4.561000     -0.3375000      0.1195000    
 C   -1.661800      -2.129800       1.216000    
 C    5.472100     -0.7134000       1.293800    
 C    4.361900      -1.552900     -0.7921000    
 C    5.195300      0.8094000     -0.6757000    
 H   0.1975000       2.181200     -0.6913000    
 H   -1.288800      0.8480000       1.643800    
 H   -1.574600       2.449900      0.9531000    
 H  -0.6456000      0.2936000      -1.984300    
 H  -0.5133000     -0.8093000     -0.6496000    
 H   -4.736000     -0.2971000       1.329200    
 H   -3.538700      0.8059000       1.900600    
 H   -4.285200      8.9800000E-02  -1.767600    
 H   -3.045400      -1.125900      -1.944100    
 H   -4.192100       2.461700      9.1899998E-02
 H   -5.495700       1.351200     -0.3833000    
 H   -5.477600       2.054200       1.230900    
 H   -4.297500      -2.669000     -0.3996000    
 H   -5.605900      -1.468000     -0.3191000    
 H   -5.181100      -2.212400      -1.855300    
 H    3.124900      9.1300003E-02   1.632700    
 H   -1.130700      -2.916500       1.698500    
 H    6.457800      -1.042200      0.9463000    
 H    5.619800      0.1383000       1.968100    
 H    5.036800      -1.525800       1.887400    
 H    3.799700      -1.318900      -1.701200    
 H    3.823500      -2.353300     -0.2709000    
 H    5.327900      -1.959400      -1.114000    
 H    4.636600       1.060900      -1.582400    
 H    5.262000       1.720400     -6.9200002E-02
 H    6.211600      0.5474000     -0.9927000    


%chk=000043454-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043454

0 1
O 1.199234 0.445809 0.492048
O 2.437298 0.791668 -1.493463
N -2.078465 0.562723 -0.249350
N 3.413224 -0.055995 0.484503
C -3.239777 -0.274320 0.183239
C 0.010935 0.962383 -0.192038
C -1.171713 1.201951 0.781280
C -0.886475 -0.073866 -0.934496
C -4.230230 0.644998 0.973418
C -3.880158 -0.874716 -1.108442
C -2.795714 -1.380623 1.087401
C -4.825581 1.798979 0.141851
C -5.146045 -1.720975 -0.870027
C 2.388010 0.422134 -0.290482
C 4.822965 -0.234106 0.017220
C -2.335650 -2.252469 1.831392
C 5.610194 -0.793061 1.226608
C 4.863343 -1.241134 -1.162021
C 5.410485 1.133752 -0.418757
H 0.288397 1.823875 -0.818722
H -1.047271 0.595856 1.703863
H -1.425057 2.244276 1.036199
H -0.905477 -0.036462 -2.034789
H -0.669927 -1.104464 -0.579160
H -5.035401 0.012151 1.390259
H -3.684489 1.056248 1.844906
H -4.098200 -0.030372 -1.787904
H -3.116637 -1.499231 -1.611632
H -4.024982 2.371412 -0.357493
H -5.514763 1.428683 -0.638574
H -5.397277 2.485976 0.792342
H -4.945208 -2.553244 -0.171362
H -5.972475 -1.116929 -0.453329
H -5.499729 -2.156537 -1.822230
H 3.178524 -0.303976 1.447171
H -1.962186 -3.023922 2.479499
H 6.667025 -0.944679 0.948425
H 5.581754 -0.090393 2.080739
H 5.202039 -1.768061 1.553432
H 4.260588 -0.867253 -2.006327
H 4.464537 -2.223300 -0.849706
H 5.904363 -1.378874 -1.506188
H 4.822284 1.556228 -1.250168
H 5.398114 1.849611 0.423116
H 6.455472 1.006448 -0.754549


