%chk=000020899.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020899

0 1
 O   -3.983700      0.4635000     -0.1747000    
 O   -3.201800      -2.178700     -0.4549000    
 O   -2.067300       2.428300      0.1985000    
 O    4.117000      -1.704200     -0.4479000    
 N    4.838300      0.4036000      0.2140000    
 C   2.3700001E-02 -0.5430000     -3.6899999E-02
 C   -2.662100      0.1316000     -0.1294000    
 C   -2.272000      -1.200100     -0.2714000    
 C   -1.699800       1.123900      5.9000000E-02
 C  -0.9199000      -1.539700     -0.2247000    
 C  -0.3478000      0.7842000      0.1055000    
 C    1.452100     -0.9017000      1.2500000E-02
 C    2.460500     -4.1700002E-02 -0.1942000    
 C    3.868600     -0.5351000     -0.1494000    
 C    6.239700      6.2000002E-03  0.2520000    
 C    4.571600       1.803500      0.5394000    
 C   -4.532200       1.094900      0.9799000    
 C   -3.726100      -2.802300      0.7157000    
 C   -2.158900       3.206700     -0.9930000    
 H  -0.6242000      -2.579900     -0.3379000    
 H   0.3700000       1.580900      0.2767000    
 H    1.662800      -1.945600      0.2340000    
 H    2.300900      0.9959000     -0.4570000    
 H    6.376300      -1.038400     -3.8500000E-02
 H    6.803600      0.6427000     -0.4364000    
 H    6.616800      0.1416000       1.270100    
 H    3.603700       1.920500       1.032100    
 H    4.584700       2.380900     -0.3891000    
 H    5.344500       2.180800       1.215800    
 H   -4.542500       2.180000      0.8449000    
 H   -5.567600      0.7581000       1.087400    
 H   -3.990900      0.8291000       1.894600    
 H   -4.226900      -2.067900       1.354100    
 H   -4.458600      -3.552400      0.4053000    
 H   -2.928000      -3.302500       1.273400    
 H   -2.475800       4.216600     -0.7186000    
 H   -1.183800       3.267500      -1.486500    
 H   -2.900400       2.780900      -1.676300    


%chk=000020899-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020899

0 1
O -3.999049 0.373818 0.393640
O -3.017520 -2.353189 0.448483
O -2.062392 2.504226 0.160233
O 4.295491 -1.781042 0.156418
N 5.112973 0.406210 0.157219
C 0.185086 -0.473606 0.202842
C -2.616430 0.096922 0.287538
C -2.159143 -1.251137 0.296161
C -1.657295 1.148272 0.168555
C -0.773569 -1.520700 0.256916
C -0.281385 0.870262 0.141546
C 1.610774 -0.830501 0.191208
C 2.677754 0.024023 0.170174
C 4.066259 -0.522667 0.161087
C 6.498978 -0.091547 0.139758
C 4.914346 1.867750 0.165343
C -4.382644 1.019534 1.675745
C -4.156236 -2.460428 -0.490835
C -2.915681 2.895589 -0.986636
H -0.453959 -2.567561 0.288263
H 0.407448 1.716662 0.066818
H 1.856395 -1.902251 0.203953
H 2.528504 1.108577 0.162104
H 6.461432 -1.191611 0.140462
H 7.032042 0.254789 -0.766832
H 7.054304 0.255315 1.032484
H 4.360382 2.206618 1.060986
H 4.381166 2.220948 -0.737914
H 5.902086 2.356180 0.180876
H -3.847716 1.977977 1.798990
H -5.468010 1.188439 1.605716
H -4.155933 0.342973 2.519754
H -3.783092 -2.562966 -1.528111
H -4.683629 -3.378856 -0.191742
H -4.818997 -1.583441 -0.410329
H -3.159803 3.955580 -0.818869
H -2.352633 2.783892 -1.932733
H -3.835804 2.285648 -1.021171


