%chk=000028441.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028441

0 1
 O    5.287700      -1.411700     -0.3086000    
 O    5.338600      0.7825000     -0.2571000    
 N  -0.8373000     -0.2648000      0.6163000    
 N   -1.429900     -0.2320000     -0.4871000    
 N    4.713900     -0.3027000     -0.1950000    
 C    2.624500      0.9344000      0.1435000    
 C    3.306900     -0.2751000      1.0700000E-02
 C    1.244300      0.9378000      0.3451000    
 C   0.5533000     -0.2680000      0.4130000    
 C   -3.514700      0.9705000     -0.1494000    
 C    2.608900      -1.480800      7.9700001E-02
 C   -2.815500     -0.2291000     -0.2840000    
 C    1.228700      -1.477200      0.2813000    
 C    3.342700       2.243500      7.4500002E-02
 C   -4.894900      0.9544000      5.1500000E-02
 C   -3.496700      -1.444500     -0.2175000    
 C   -2.807500       2.284500     -0.2181000    
 C   -5.576000     -0.2611000      0.1178000    
 C   -4.876900      -1.460500     -1.6799999E-02
 H   0.7028000       1.875000      0.4507000    
 H    3.103700      -2.443700     -1.8500000E-02
 H   0.6923000      -2.420900      0.3346000    
 H    4.060000       2.361800      0.8933000    
 H    3.797100       2.411100     -0.9075000    
 H    2.633700       3.072400      0.2007000    
 H   -5.454700       1.879700      0.1594000    
 H   -2.961800      -2.385000     -0.3221000    
 H   -2.170100       2.420200      0.6616000    
 H   -2.192800       2.347000      -1.122300    
 H   -3.511300       3.123300     -0.2513000    
 H   -6.650700     -0.2738000      0.2744000    
 H   -5.407300      -2.406800      3.4699999E-02


%chk=000028441-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028441

0 1
O 5.589132 -1.432380 0.051121
O 5.556962 0.838115 -0.049450
N -0.736989 -0.857625 0.048913
N -1.473541 0.225839 0.015132
N 4.954841 -0.305154 0.004635
C 2.678474 0.855025 -0.013578
C 3.470201 -0.340128 0.013309
C 1.276646 0.677649 -0.001657
C 0.674679 -0.608555 0.034223
C -3.699906 1.177673 -0.011073
C 2.886224 -1.631482 0.050257
C -2.883168 0.000161 0.032856
C 1.492259 -1.768891 0.060738
C 3.224975 2.269190 -0.051211
C -5.105602 1.006617 0.006190
C -3.473842 -1.296720 0.091828
C -3.089928 2.564178 -0.074789
C -5.690562 -0.278115 0.064545
C -4.870511 -1.434794 0.107607
H 0.618020 1.551182 -0.020264
H 3.547617 -2.500667 0.070331
H 1.012750 -2.751559 0.088937
H 3.877895 2.478143 0.813488
H 3.851953 2.440459 -0.942992
H 2.391109 2.991005 -0.054436
H -5.748222 1.893703 -0.026471
H -2.810660 -2.166414 0.124377
H -2.434073 2.753161 0.793180
H -2.460007 2.683195 -0.973977
H -3.877628 3.336427 -0.094281
H -6.781585 -0.379273 0.076754
H -5.326509 -2.429566 0.153258


