%chk=000004630.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004630

0 1
 O    3.415800       1.215200       1.337700    
 N   -2.909700      0.3965000     -0.1498000    
 N    2.472000      0.1490000     -0.5369000    
 C   -4.809800     -0.9391000      8.5000001E-02
 C   -3.573700      -1.832800      5.7300001E-02
 C   -4.281500      0.4623000      0.3532000    
 C   -2.400000     -0.8967000      0.3054000    
 C    2.372700      -1.201400      -1.037700    
 C    3.521000      -1.909700     -0.3472000    
 C   -2.094200       1.509400      0.3131000    
 C    3.664600      -1.169100      0.9770000    
 C    3.203900      0.2310000      0.6453000    
 C    1.754900       1.241900      -1.156900    
 C  -0.7284000       1.410300     -0.2099000    
 C   0.3921000       1.333100     -0.6357000    
 H   -5.321200     -0.9837000     -0.8837000    
 H   -5.521100      -1.254400      0.8550000    
 H   -3.626100      -2.620400      0.8157000    
 H   -3.487500      -2.315300     -0.9235000    
 H   -4.875300       1.222500     -0.1638000    
 H   -4.310800      0.6687000       1.430800    
 H   -2.157800     -0.8869000       1.376300    
 H   -1.517200      -1.229400     -0.2501000    
 H    2.472100      -1.222100      -2.126600    
 H    1.402600      -1.613200     -0.7413000    
 H    4.439700      -1.786200     -0.9344000    
 H    3.345300      -2.981500     -0.2204000    
 H   -2.534100       2.451700     -3.5599999E-02
 H   -2.065200       1.557200       1.409200    
 H    4.697500      -1.168700       1.333300    
 H    3.001900      -1.585200       1.742200    
 H    1.764400       1.102100      -2.242400    
 H    2.290100       2.170900     -0.9315000    


%chk=000004630-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004630

0 1
O 4.233405 1.570172 0.484127
N -3.004360 0.353440 -0.101573
N 2.618959 0.172099 -0.518009
C -5.060438 -0.866664 -0.087595
C -3.863748 -1.847584 -0.343807
C -4.396979 0.446240 0.409621
C -2.609160 -1.062512 0.112716
C 2.217160 -1.247097 -0.550185
C 3.498365 -1.985897 -0.062412
C -2.092184 1.357830 0.490144
C 4.257094 -0.927977 0.780553
C 3.749644 0.425026 0.256566
C 1.791684 1.256960 -1.067020
C -0.729779 1.313343 -0.072466
C 0.423415 1.296464 -0.510376
H -5.619604 -0.691609 -1.022029
H -5.771197 -1.260290 0.659785
H -3.969664 -2.797455 0.208550
H -3.790844 -2.086915 -1.418154
H -4.892693 1.356206 0.026336
H -4.421297 0.487742 1.530378
H -2.390610 -1.268204 1.193799
H -1.702847 -1.303407 -0.469015
H 1.917188 -1.546844 -1.571388
H 1.351942 -1.420521 0.122052
H 4.109632 -2.283494 -0.932345
H 3.252452 -2.896841 0.507479
H -2.523366 2.362063 0.307816
H -2.018679 1.240786 1.605583
H 5.353553 -0.985663 0.689485
H 4.010745 -0.992946 1.857300
H 1.735455 1.164049 -2.170667
H 2.333756 2.195502 -0.836149


