%chk=000017841.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017841

0 1
 O    5.049000      0.1136000     -0.3843000    
 N    2.338100      0.2156000      0.3131000    
 N   0.4438000     -0.8019000      0.9696000    
 N   0.4056000       1.294500     -0.2595000    
 C    3.050000      -1.059800      0.3299000    
 C    3.182200       1.395600      0.4835000    
 C   0.9880000      0.2878000      0.3221000    
 C    4.203900      -1.005600     -0.6639000    
 C    4.330000       1.342500     -0.5171000    
 C  -0.6890000      -1.499600      0.5032000    
 C   -1.789400     -0.8705000     -0.1103000    
 C   -2.002800      0.5993000     -7.2400004E-02
 C  -0.9686000       1.553800     -0.1501000    
 C  -0.6342000      -2.911200      0.5629000    
 C   -2.760400      -1.706500     -0.7140000    
 C   -3.324800       1.092300      8.1900001E-02
 C   -1.291200       2.929100     -0.1309000    
 C   -1.624200      -3.704400     -7.7999998E-03
 C   -2.682400      -3.099600     -0.6638000    
 C   -3.622500       2.455600      0.1119000    
 C   -2.601000       3.379300     -4.0000002E-03
 H    2.419000      -1.908800      4.5400001E-02
 H    3.433500      -1.238000       1.341600    
 H    3.579400       1.389200       1.505700    
 H    2.626600       2.330600      0.3534000    
 H    4.811200      -1.912700     -0.5842000    
 H    3.841100     -0.9358000      -1.696600    
 H    3.968300       1.441300      -1.547600    
 H    5.030000       2.162600     -0.3288000    
 H    1.020200      -1.324200       1.622000    
 H   0.2150000      -3.402100       1.035500    
 H   -3.613300      -1.277000      -1.237400    
 H   -4.162700      0.4061000      0.1964000    
 H  -0.4956000       3.669400     -0.2066000    
 H   -1.554200      -4.786400      4.0899999E-02
 H   -3.453500      -3.704200      -1.131600    
 H   -4.650300       2.786000      0.2274000    
 H   -2.815500       4.443000      1.4500000E-02


%chk=000017841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017841

0 1
O 4.743281 0.131888 -0.940687
N 2.456215 0.223491 0.836430
N 0.371229 -0.836510 1.206642
N 0.521154 1.277409 0.016057
C 3.261524 -1.016823 0.696596
C 3.251409 1.442577 0.550055
C 1.066097 0.253519 0.629892
C 3.926455 -1.065723 -0.700651
C 3.906807 1.348666 -0.840514
C -0.654050 -1.553938 0.512304
C -1.716294 -0.872766 -0.154174
C -1.932144 0.604480 -0.054573
C -0.866019 1.564975 0.016533
C -0.592241 -2.970096 0.515719
C -2.644566 -1.674095 -0.876293
C -3.270186 1.090798 -0.058638
C -1.186814 2.952322 0.027174
C -1.563541 -3.739629 -0.157513
C -2.583269 -3.083226 -0.881653
C -3.573733 2.466029 -0.017963
C -2.518059 3.406956 0.015132
H 2.627568 -1.909733 0.832126
H 4.047380 -1.018527 1.476360
H 4.037500 1.525796 1.325654
H 2.577887 2.312290 0.596716
H 4.621869 -1.918613 -0.776900
H 3.141409 -1.155138 -1.483334
H 3.121118 1.335351 -1.623828
H 4.597352 2.189205 -1.018208
H 0.851489 -1.338747 1.956093
H 0.227846 -3.468304 1.049095
H -3.433091 -1.174012 -1.448671
H -4.093172 0.367407 -0.062506
H -0.349105 3.656793 0.043796
H -1.508209 -4.833351 -0.135901
H -3.323609 -3.661132 -1.444585
H -4.617546 2.797584 -0.010383
H -2.730644 4.481725 0.034601


