%chk=000046075.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046075

0 1
 O   -2.202600     -0.1299000      0.9435000    
 O   -2.659800      4.9999999E-03  -1.332200    
 N    2.326200       1.339500      4.2199999E-02
 N   -4.324700      0.3816000      0.2391000    
 C    3.925600     -0.2498000     -0.9267000    
 C    3.159700      -1.421100     -0.3284000    
 C    3.741000      0.9835000     -5.5199999E-02
 C    1.738000      -1.033200     -1.0000000E-03
 C    1.378900      0.3240000      0.1863000    
 C   0.7887000      -2.058400      0.1551000    
 C   3.0999999E-02  0.5906000      0.4973000    
 C    1.991500       2.729900      0.3144000    
 C  -0.9108000     -0.4336000      0.6383000    
 C  -0.5315000      -1.758300      0.4707000    
 C   -3.041100      8.1000000E-02 -0.1678000    
 C   -5.410200      0.6492000     -0.6755000    
 H    4.988400     -0.5019000      -1.010300    
 H    3.558600     -4.3800000E-02  -1.940700    
 H    3.649500      -1.757300      0.5936000    
 H    3.172200      -2.255100      -1.039900    
 H    4.144700      0.8089000      0.9499000    
 H    4.312300       1.809500     -0.4948000    
 H  -0.3136000       1.612000      0.6437000    
 H    1.079800      -3.098100      2.6699999E-02
 H    1.706100       2.864300       1.363400    
 H    1.176400       3.072500     -0.3321000    
 H    2.843800       3.390500      0.1207000    
 H   -1.255600      -2.559900      0.5837000    
 H   -4.517000      0.4160000       1.235400    
 H   -5.789700       1.653000     -0.4698000    
 H   -6.201200     -8.1299998E-02 -0.4889000    
 H   -5.081600      0.5827000      -1.715300    


%chk=000046075-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046075

0 1
O -2.330481 -0.693646 0.104600
O -2.630476 1.657097 -0.232415
N 2.230366 1.229902 -0.238743
N -4.411846 0.145055 -0.007806
C 4.156267 -0.315101 -0.551669
C 3.398262 -1.417793 0.216383
C 3.687612 1.070565 -0.067661
C 1.893760 -1.183718 0.163994
C 1.369475 0.137785 -0.045238
C 0.990305 -2.254043 0.321311
C -0.045367 0.337131 -0.064253
C 1.688193 2.589419 -0.333320
C -0.901684 -0.767389 0.105990
C -0.409195 -2.074784 0.298909
C -3.080756 0.495657 -0.063844
C -5.482000 1.133783 -0.146470
H 5.247117 -0.406898 -0.394583
H 3.959527 -0.404734 -1.636485
H 3.746110 -1.424544 1.270872
H 3.641065 -2.414379 -0.197807
H 3.983876 1.208539 0.998262
H 4.191200 1.863533 -0.651843
H -0.478807 1.325860 -0.202624
H 1.394917 -3.263393 0.468843
H 1.160643 2.903766 0.592315
H 0.973504 2.681423 -1.173963
H 2.515126 3.296030 -0.513771
H -1.104706 -2.908189 0.424738
H -4.627999 -0.841516 0.134484
H -6.114281 1.172749 0.760086
H -6.122454 0.913447 -1.020721
H -5.014273 2.120384 -0.292172


