%chk=000030450.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030450

0 1
 O   -1.755800     -0.9169000      -1.047900    
 O   -3.952500       1.331600      0.5747000    
 O    5.085200      0.4314000      0.4201000    
 O    4.412800      -1.656600      0.3327000    
 N   -2.153900      0.2338000     -0.3404000    
 N    4.176800     -0.4249000      0.2926000    
 C   0.2078000      0.8819000     -0.2722000    
 C   -1.209700       1.335900     -0.4858000    
 C   0.4986000     -0.4936000     -0.2460000    
 C  -0.6256000      -1.487600     -0.3765000    
 C    1.242900       1.812900     -0.1354000    
 C    1.815300     -0.9214000     -4.6700001E-02
 C   -3.424700      0.2971000      0.1639000    
 C    2.840300      1.3700000E-02  9.7599998E-02
 C    2.555200       1.378000      5.0299998E-02
 C   -4.173600      -1.011500      0.2056000    
 C   -5.539100     -0.8037000      0.8134000    
 H   -1.479300       2.124900      0.2243000    
 H   -1.321500       1.727000      -1.503300    
 H  -0.3007000      -2.344500     -0.9758000    
 H  -0.9313000      -1.851200      0.6117000    
 H    1.031500       2.878400     -0.1700000    
 H    2.011900      -1.990500     -9.9999998E-03
 H    3.330600       2.132400      0.1563000    
 H   -4.278800      -1.401000     -0.8125000    
 H   -3.604600      -1.733200      0.8011000    
 H   -6.085200      -1.751900      0.8478000    
 H   -6.136400     -9.5899999E-02  0.2283000    
 H   -5.469200     -0.4215000       1.837600    


%chk=000030450-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030450

0 1
O -1.738429 -1.046603 -0.928563
O -3.873184 1.409613 0.634014
O 5.221864 0.557547 0.254872
O 4.569221 -1.628327 0.272474
N -2.141434 0.161080 -0.210527
N 4.318267 -0.362947 0.202355
C 0.224435 0.841528 -0.226842
C -1.220762 1.287577 -0.390145
C 0.556001 -0.539804 -0.151145
C -0.544195 -1.586677 -0.228071
C 1.255214 1.812778 -0.174186
C 1.903359 -0.931009 -0.009245
C -3.469476 0.286541 0.203466
C 2.903981 0.058797 0.052942
C 2.601929 1.435674 -0.029849
C -4.329739 -0.971582 0.108809
C -5.713761 -0.770798 0.751135
H -1.500602 2.044072 0.364202
H -1.360242 1.756211 -1.387944
H -0.242968 -2.452610 -0.841508
H -0.841991 -1.935181 0.780867
H 0.995919 2.875591 -0.239154
H 2.195417 -1.984393 0.047490
H 3.409593 2.169977 0.020223
H -4.426679 -1.244541 -0.960342
H -3.789401 -1.816795 0.576413
H -6.327189 -1.681016 0.628555
H -6.243423 0.077802 0.286774
H -5.624724 -0.549406 1.828430


