%chk=000004057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004057

1 1
 O   -1.112100     -0.9152000      0.6168000    
 O   0.9621000     -0.3380000       2.008700    
 O   0.3758000      -2.128600     -0.6490000    
 N   -4.133000     -0.2003000      0.3719000    
 C   -3.446200      -1.440500      0.9696000    
 C   -4.280500     -0.3252000      -1.146900    
 C   -2.150700      -1.818400      0.2541000    
 C   -2.948800     -0.6201000      -1.822100    
 C   -2.306000      -1.881000      -1.260900    
 C   -5.543500     -0.1113000      0.9774000    
 C   -3.408400       1.091500      0.7508000    
 C   0.1266000      -1.184200      9.0800002E-02
 C    1.156700     -0.1676000      0.5899000    
 C   0.8533000       1.276500      0.1835000    
 C    2.591200     -0.5493000      0.2178000    
 C   0.3406000       1.513600      -1.071000    
 C    2.965400     -0.4936000      -1.105100    
 C    1.104500       2.281900       1.088500    
 C    3.451800     -0.9330000       1.220300    
 C   6.3900001E-02   2.829600      -1.441400    
 C    4.272900     -0.8413000      -1.444300    
 C   0.8277000       3.597900      0.7181000    
 C    4.759500      -1.280500      0.8810000    
 C   0.3073000       3.871700     -0.5469000    
 C    5.170000      -1.234700     -0.4514000    
 H   -4.163700      -2.265200      0.8801000    
 H   -3.273200      -1.230100       2.031200    
 H   -4.713600      0.6106000      -1.518000    
 H   -4.990200      -1.139500      -1.336900    
 H   -1.856500      -2.810100      0.6228000    
 H   -2.269400      0.2312000      -1.728500    
 H   -3.121800     -0.7546000      -2.896700    
 H   -2.968900      -2.726300      -1.492800    
 H   -1.399700      -2.070100      -1.834000    
 H   -6.092400      -1.021800      0.7188000    
 H   -5.446300     -1.8800000E-02   2.063200    
 H   -6.045000      0.7663000      0.5585000    
 H   -2.421400       1.110400      0.2918000    
 H   -3.998600       1.937300      0.3851000    
 H   -3.321400       1.132200       1.840600    
 H   0.1217000      8.3600000E-02   2.259200    
 H   0.1431000      0.7197000      -1.783400    
 H    2.285600     -0.2145000      -1.901200    
 H    1.521900       2.091700       2.072100    
 H    3.171900     -0.9794000       2.266900    
 H  -0.3419000       3.042600      -2.426000    
 H    4.591400     -0.8109000      -2.482300    
 H    1.020200       4.409900       1.413300    
 H    5.458600      -1.586700       1.653800    
 H   9.2299998E-02   4.896400     -0.8355000    
 H    6.187700      -1.506500     -0.7157000    


%chk=000004057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004057

1 1
O -1.135572 -0.773358 0.301340
O 0.872381 0.086752 1.947856
O 0.476299 -2.035996 -0.813198
N -4.212712 -0.420888 0.685684
C -3.329113 -1.688624 0.807455
C -4.612467 -0.198144 -0.796445
C -2.157294 -1.749340 -0.178151
C -3.396419 -0.150663 -1.731966
C -2.573632 -1.450936 -1.630821
C -5.480967 -0.640580 1.507940
C -3.492390 0.813935 1.234141
C 0.211321 -1.057738 -0.100292
C 1.172277 0.009964 0.500148
C 0.920160 1.369544 -0.178385
C 2.625297 -0.476866 0.386112
C 0.457338 1.472545 -1.514344
C 3.435309 -0.110431 -0.714057
C 1.210024 2.551813 0.547772
C 3.143821 -1.344620 1.379011
C 0.274177 2.739833 -2.112757
C 4.753732 -0.606699 -0.820457
C 1.023493 3.817682 -0.050377
C 4.462942 -1.833903 1.272696
C 0.552159 3.916833 -1.380365
C 5.271282 -1.469899 0.170836
H -3.999790 -2.545874 0.621190
H -2.969254 -1.732417 1.848771
H -5.201542 0.734426 -0.825474
H -5.273144 -1.043335 -1.062333
H -1.709438 -2.759789 -0.118694
H -2.764263 0.730931 -1.523870
H -3.780107 -0.022964 -2.760190
H -3.170039 -2.307539 -2.003393
H -1.670380 -1.403284 -2.259772
H -6.038883 -1.496674 1.099001
H -5.202877 -0.841615 2.554158
H -6.102795 0.266519 1.457387
H -2.542683 0.952705 0.703406
H -4.150781 1.686452 1.101657
H -3.294090 0.653753 2.305391
H -0.027356 0.491621 2.053451
H 0.271131 0.567085 -2.106981
H 3.053351 0.568229 -1.483701
H 1.601827 2.471081 1.567010
H 2.523356 -1.611471 2.239308
H -0.065176 2.808585 -3.152201
H 5.376132 -0.315262 -1.673198
H 1.261022 4.725163 0.515003
H 4.860474 -2.497139 2.048437
H 0.419620 4.899180 -1.845893
H 6.294733 -1.851285 0.088754


