%chk=000050670.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050670

2 1
 O    3.159000     -7.9499997E-02  0.3482000    
 O   -3.409800     -0.5633000     -1.0500000E-02
 O    5.246100     -0.9838000      0.6953000    
 O   -4.326500      0.4666000       1.831500    
 N    5.190300       1.212500     -0.1613000    
 N   -5.252400       1.061900     -0.2539000    
 C   0.5401000     -0.8952000     -0.6115000    
 C  -0.8126000      -1.409100      -1.009100    
 C   0.4255000      -2.034200      -1.581900    
 C    1.045200      -1.164200      0.7745000    
 C   -1.615700      -2.170200     -2.0800000E-02
 C    2.562000      -1.291400      0.8206000    
 C   -2.511000      -1.271800      0.8329000    
 C    4.527400     -5.8200002E-02  0.3370000    
 C   -4.281900      0.2891000      0.6199000    
 C    6.048900      0.8747000      -1.374000    
 C    4.153500       2.258200     -0.5640000    
 C    6.059500       1.780600      0.9538000    
 C   -5.010800       2.553200     -5.4800000E-02
 C   -5.062100      0.7218000      -1.729900    
 C   -6.674600      0.7023000      0.1580000    
 H   0.8368000      7.3799998E-02 -0.9934000    
 H   -1.412200     -0.8076000      -1.681300    
 H   0.6570000      -1.832700      -2.621200    
 H   0.7047000      -3.028000      -1.253200    
 H   0.7359000     -0.3247000       1.408900    
 H   0.6487000      -2.074900       1.225100    
 H   -2.275000      -2.826700     -0.6054000    
 H   -1.040700      -2.848600      0.6135000    
 H    2.891700      -2.125000      0.1895000    
 H    2.882800      -1.472200       1.853000    
 H   -1.901100     -0.5589000       1.399200    
 H   -3.082900      -1.891800       1.532700    
 H    6.510200       1.797700      -1.737700    
 H    6.821000      0.1613000      -1.070900    
 H    5.402500      0.4391000      -2.141900    
 H    4.682500       3.150000     -0.9139000    
 H    3.536800       1.846200      -1.368600    
 H    3.544600       2.501100      0.3121000    
 H    6.520800       2.705300      0.5942000    
 H    5.420700       1.980800       1.819200    
 H    6.831500       1.047600       1.206500    
 H   -5.702100       3.103600     -0.6998000    
 H   -5.194500       2.802500      0.9946000    
 H   -3.973900       2.772400     -0.3266000    
 H   -5.783000       1.303300      -2.312700    
 H   -4.041100      0.9874000      -2.020000    
 H   -5.242700     -0.3487000      -1.866900    
 H   -7.369000       1.249200     -0.4866000    
 H   -6.805200     -0.3771000      3.5599999E-02
 H   -6.822500      0.9919000       1.202700    


%chk=000050670-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050670

2 1
O 3.645669 -0.120616 0.280041
O -3.789879 -0.106013 0.155600
O 5.581881 -1.433673 0.416487
O -4.752326 1.268868 1.792314
N 5.738633 0.869799 -0.327320
N -5.860269 0.928571 -0.361208
C 0.663452 -0.517676 -0.406569
C -0.824155 -0.854595 -0.694467
C 0.293242 -1.684808 -1.339738
C 1.342632 -0.784388 0.935049
C -1.762030 -1.502898 0.321949
C 2.782961 -1.275345 0.819511
C -2.647116 -0.527877 1.094996
C 4.961176 -0.397803 0.167670
C -4.711632 0.726432 0.686783
C 6.748781 0.407027 -1.388640
C 4.829819 1.952404 -0.903949
C 6.498014 1.411061 0.898165
C -6.858973 1.945132 0.198911
C -5.274347 1.441490 -1.682837
C -6.557628 -0.423195 -0.582632
H 1.024644 0.388646 -0.907389
H -1.328433 -0.148532 -1.366284
H 0.470436 -1.587354 -2.413899
H 0.435774 -2.703698 -0.959715
H 1.308633 0.112438 1.582935
H 0.815171 -1.586469 1.489015
H -2.408310 -2.246912 -0.182729
H -1.190933 -2.079588 1.075244
H 2.896335 -2.105107 0.101066
H 3.222381 -1.554988 1.792529
H -2.129709 0.398561 1.397933
H -3.134225 -0.989907 1.970904
H 7.384092 1.265166 -1.654335
H 7.355155 -0.407916 -0.969566
H 6.200532 0.050971 -2.273948
H 5.467731 2.784091 -1.241057
H 4.268500 1.538777 -1.753719
H 4.132789 2.295965 -0.128437
H 7.099439 2.275324 0.578116
H 5.769193 1.719795 1.663042
H 7.151030 0.616417 1.287997
H -7.662627 2.071154 -0.541997
H -7.265287 1.571203 1.148906
H -6.344892 2.900341 0.376348
H -6.103027 1.582945 -2.393313
H -4.771102 2.403383 -1.500820
H -4.560674 0.701336 -2.068760
H -7.390328 -0.269825 -1.285947
H -5.831377 -1.135900 -0.996807
H -6.946418 -0.785913 0.381266


