%chk=000021344.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021344

0 1
 O   -1.006100      0.9360000       1.531000    
 N   -3.914200      0.8410000      -1.166300    
 N    1.964200      -2.014000     -0.1087000    
 C   -2.158100     -0.8516000      0.4626000    
 C   -2.244900     -0.9815000      -1.059600    
 C   -3.415100     -0.1869000       1.027600    
 C   -2.666200      0.3274000      -1.729800    
 C   -3.786900       1.088500      0.2695000    
 C  -0.9245000     -9.3699999E-02  0.8653000    
 C   0.4104000     -0.6073000      0.4469000    
 C    1.544300      0.1559000      0.1948000    
 C    2.534600     -0.7622000     -0.1612000    
 C   0.6512000      -1.919300      0.2673000    
 C    1.868400       1.527000      0.2214000    
 C    3.838100     -0.3761000     -0.4931000    
 C    3.168300       1.927700     -0.1082000    
 C    4.136400      0.9891000     -0.4598000    
 H   -2.084000      -1.849700      0.9122000    
 H   -2.993600      -1.749700      -1.297200    
 H   -1.310400      -1.324700      -1.513000    
 H   -3.302100      3.7700001E-02   2.095100    
 H   -4.250200     -0.8962000      0.9503000    
 H   -1.872000       1.078500      -1.639800    
 H   -2.812700      0.1475000      -2.800600    
 H   -4.750000       1.451700      0.6458000    
 H   -3.062000       1.889800      0.4498000    
 H   -4.162900       1.710800      -1.636700    
 H   4.7899999E-02  -2.811000      0.3652000    
 H    2.446200      -2.877600     -0.3168000    
 H    1.127600       2.274600      0.4896000    
 H    4.592500      -1.106000     -0.7669000    
 H    3.423900       2.983900     -9.0099998E-02
 H    5.139800       1.322400     -0.7124000    


%chk=000021344-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021344

0 1
O -0.926039 1.411639 0.706815
N -4.350549 0.606687 -1.030618
N 2.083099 -2.007972 -0.234203
C -2.114776 -0.716412 0.364251
C -2.503938 -1.018892 -1.122345
C -3.329755 -0.106690 1.114836
C -3.152331 0.203902 -1.802097
C -4.007515 1.049788 0.345807
C -0.853226 0.167677 0.439174
C 0.457314 -0.459279 0.186500
C 1.748975 0.224313 0.138491
C 2.748806 -0.770825 -0.128644
C 0.719654 -1.821732 -0.047899
C 2.148619 1.576436 0.296193
C 4.121521 -0.466384 -0.244595
C 3.517906 1.890633 0.180670
C 4.492563 0.884892 -0.086125
H -1.860583 -1.683023 0.845956
H -3.243733 -1.842441 -1.123490
H -1.619159 -1.346352 -1.700046
H -3.011951 0.260384 2.108372
H -4.077405 -0.909672 1.266279
H -2.394763 1.023068 -1.885461
H -3.464443 -0.068109 -2.827791
H -4.943327 1.331074 0.864343
H -3.324201 1.927302 0.355172
H -4.909542 1.311135 -1.529743
H 0.031118 -2.663637 -0.090282
H 2.534886 -2.902709 -0.414584
H 1.395871 2.340134 0.505582
H 4.871700 -1.238454 -0.448126
H 3.844700 2.929554 0.299826
H 5.548406 1.165965 -0.168018


