%chk=000003135.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003135

0 1
 O   0.1147000      -1.868400      0.2072000    
 N    2.476800      -1.834300      0.2066000    
 N   -5.107200     -0.1317000      8.5000005E-03
 C    2.850300      0.4209000     -4.4399999E-02
 C    1.411800      0.1790000     -1.9099999E-02
 C    3.449500     -0.8344000      9.6400000E-02
 C   0.4180000       1.063900     -0.1187000    
 C    1.187300      -1.296400      0.1450000    
 C   -1.022800      0.7524000     -8.5699998E-02
 C    3.621600       1.560800     -0.1696000    
 C   -3.729100      0.1670000     -2.3300000E-02
 C    4.820300      -1.001200      0.1172000    
 C   -1.688200      0.4979000      -1.273300    
 C   -1.681100      0.7207000       1.132400    
 C   -3.051200      0.2030000      -1.241800    
 C   -3.044000      0.4257000       1.163900    
 C    5.012800       1.414600     -0.1510000    
 C    5.606200      0.1460000     -8.9999996E-03
 C   -5.694400     -0.9951000     -0.9966000    
 C   -5.951500      0.4097000       1.055000    
 H   0.6397000       2.122200     -0.2378000    
 H    2.695000      -2.817600      0.3166000    
 H    3.175600       2.543100     -0.2794000    
 H    5.275900      -1.978600      0.2268000    
 H   -1.170900      0.5256000      -2.228600    
 H   -1.157100      0.9181000       2.063900    
 H   -3.557200      1.7999999E-02  -2.185000    
 H   -3.538700      0.3937000       2.130400    
 H    5.646500       2.292500     -0.2474000    
 H    6.689700      6.0800001E-02  2.4000001E-03
 H   -5.870800     -0.4444000      -1.926400    
 H   -6.659200      -1.392700     -0.6619000    
 H   -5.054000      -1.859300      -1.206800    
 H   -5.715700       1.460500       1.257800    
 H   -5.842800     -0.1677000       1.979000    
 H   -7.008300      0.3749000      0.7672000    


%chk=000003135-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003135

0 1
O 0.687143 -1.460277 2.261497
N 2.972287 -1.110950 1.801208
N -5.300896 0.050706 -0.108788
C 2.915823 0.177068 -0.098287
C 1.518894 -0.108290 0.287363
C 3.779830 -0.453200 0.851985
C 0.417391 0.354440 -0.422773
C 1.593680 -0.950193 1.530866
C -1.019472 0.228624 -0.272806
C 3.487012 0.908572 -1.160937
C -3.910613 0.109944 -0.165963
C 5.180153 -0.372235 0.768352
C -1.841566 0.876646 -1.252761
C -1.697948 -0.486212 0.768570
C -3.238181 0.826621 -1.212409
C -3.094548 -0.542855 0.818811
C 4.896826 1.000923 -1.260921
C 5.732859 0.367792 -0.307339
C -6.114308 0.733594 -1.125405
C -5.965110 -0.699095 0.968521
H 0.694760 0.956348 -1.304397
H 3.302062 -1.648186 2.601721
H 2.855667 1.404754 -1.907199
H 5.828118 -0.860688 1.504210
H -1.357202 1.432732 -2.066304
H -1.098057 -0.992554 1.532645
H -3.811005 1.339786 -1.989537
H -3.562000 -1.100841 1.635055
H 5.346825 1.567261 -2.083462
H 6.821494 0.449906 -0.400712
H -5.918062 1.824274 -1.141017
H -7.181678 0.584899 -0.900200
H -5.921112 0.335514 -2.141916
H -5.719503 -0.285478 1.966830
H -5.675489 -1.768529 0.960492
H -7.056573 -0.641620 0.835507


