%chk=000049843.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049843

0 1
 O   0.7231000      -3.123400       1.666400    
 N  -0.7030000      7.7900000E-02  0.5209000    
 N    2.449300      -1.418800      0.1624000    
 N    4.608000     -0.6656000     -0.1988000    
 N    3.469600      -1.447200      -2.012100    
 C  -0.1568000     -0.9026000       1.432300    
 C   0.2075000      -2.199400      0.7086000    
 C   3.9900001E-02   1.290800      0.3940000    
 C   -2.024500     -0.1233000      1.5000000E-02
 C    1.227200      -1.994300     -0.4105000    
 C  -6.6200003E-02   2.259700       1.379500    
 C   -2.429700      0.5641000      -1.117700    
 C   0.8534000       1.476800     -0.7130000    
 C   -2.874500      -1.001700      0.6677000    
 C   0.6590000       3.444700       1.254900    
 C   -3.719700      0.3682000      -1.610900    
 C    1.578700       2.661800     -0.8375000    
 C   -4.164400      -1.197600      0.1744000    
 C    1.481400       3.645700      0.1466000    
 C   -4.586900     -0.5127000     -0.9650000    
 C    3.428400      -1.203000     -0.6574000    
 H  -0.8008000      -1.091400       2.299900    
 H   0.7541000     -0.5179000       1.916300    
 H  -0.6829000      -2.669500      0.2794000    
 H   0.8107000      -1.381200      -1.212700    
 H    1.467100      -2.979800     -0.8309000    
 H  -0.7052000       2.112300       2.245800    
 H   -1.779800       1.251400      -1.649000    
 H   0.9240000      0.7399000      -1.504600    
 H   -2.612700      -1.554500       1.561600    
 H    1.552900      -2.755400       2.015700    
 H   0.5829000       4.211000       2.020700    
 H   -4.048800      0.9003000      -2.498800    
 H    2.214500       2.820800      -1.703600    
 H   -4.841400      -1.881500      0.6780000    
 H    2.045000       4.569000      4.8799999E-02
 H   -5.591300     -0.6652000      -1.348800    
 H    4.730200     -0.4298000      0.7800000    
 H    5.387400     -0.4869000     -0.8225000    
 H    4.298700      -1.234000      -2.556300    
 H    2.683200      -1.842700      -2.514700    


%chk=000049843-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049843

0 1
O 0.698914 -3.422587 1.081986
N -0.860911 -0.036133 0.371201
N 2.698034 -1.812715 0.423798
N 4.678227 -0.886215 1.276905
N 4.038409 -0.282823 -0.896929
C -0.240928 -1.164890 1.109100
C 0.335354 -2.300534 0.213689
C -0.033967 1.043839 -0.075593
C -2.257528 -0.080231 0.087429
C 1.603804 -1.859847 -0.565562
C 0.996566 1.571046 0.752573
C -2.994506 1.117455 -0.158893
C -0.191393 1.589630 -1.384298
C -2.974712 -1.312947 0.112005
C 1.838154 2.604096 0.286812
C -4.382647 1.074893 -0.392815
C 0.646254 2.628706 -1.838154
C -4.367593 -1.340401 -0.113680
C 1.672209 3.145079 -1.009287
C -5.086359 -0.153233 -0.376219
C 3.739536 -1.031653 0.248105
H -0.986665 -1.612166 1.787826
H 0.586590 -0.797032 1.739242
H -0.434382 -2.669801 -0.487216
H 1.407617 -0.894610 -1.082002
H 1.818260 -2.627959 -1.337822
H 1.134478 1.185842 1.767535
H -2.480183 2.083003 -0.141780
H -0.969163 1.188222 -2.042006
H -2.453693 -2.255653 0.299862
H 1.649991 -3.209658 1.336616
H 2.615117 2.999029 0.951821
H -4.920684 2.013210 -0.571761
H 0.501969 3.029766 -2.848238
H -4.889962 -2.303848 -0.089160
H 2.317982 3.956190 -1.362897
H -6.166242 -0.181056 -0.555098
H 4.469605 -1.390420 2.136566
H 5.657191 -0.728433 1.044207
H 4.564680 0.584185 -0.798996
H 3.410179 -0.344346 -1.694775


