%chk=000004506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004506

0 1
 O    1.403000       4.386200     -0.4132000    
 O   -4.483200      -1.796700      4.4199999E-02
 O   -2.739400      -2.742000      0.9850000    
 N  -0.2974000       2.878500     -0.6929000    
 N    1.838200       1.412400      0.8593000    
 N   -3.278100      -1.775500      0.3932000    
 C  -0.3678000      0.5429000      0.1688000    
 C  -0.9657000       1.665000     -0.4282000    
 C    1.106700      0.4555000      0.3990000    
 C    1.812000     -0.8098000      4.4500001E-02
 C   -1.150800     -0.5864000      0.4600000    
 C   -2.311200       1.595000     -0.8197000    
 C    1.209300       2.662400       1.226600    
 C   -2.499900     -0.6222000      0.1093000    
 C   0.8093000       3.373900     -3.8500000E-02
 C   -3.075400      0.4608000     -0.5461000    
 C    1.330500      -1.595400     -0.9949000    
 C    2.942000      -1.187600      0.7581000    
 C    1.990100      -2.779000      -1.326100    
 C    3.601800      -2.371200      0.4269000    
 C    3.125800      -3.166800     -0.6152000    
 H  -0.6933000      -1.434700      0.9648000    
 H  -0.7142000       3.482300      -1.397100    
 H   -2.787600       2.439600      -1.313400    
 H    1.936600       3.284700       1.759500    
 H   0.3552000       2.534300       1.901300    
 H   -4.118700      0.4638000     -0.8513000    
 H   0.4759000      -1.306500      -1.599200    
 H    3.326000     -0.5894000       1.579800    
 H    1.625400      -3.394100      -2.143700    
 H    4.485200      -2.674300      0.9813000    
 H    3.640500      -4.087400     -0.8742000    


%chk=000004506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004506

0 1
O 1.235755 4.587605 -0.304673
O -4.644090 -1.704297 0.079154
O -2.831100 -2.753102 0.988567
N -0.245155 2.860428 -0.748569
N 1.855688 1.395518 0.857212
N -3.394255 -1.746748 0.406893
C -0.360817 0.517485 0.108310
C -0.974456 1.688356 -0.453536
C 1.117179 0.423725 0.356747
C 1.821226 -0.857375 0.027955
C -1.185353 -0.601352 0.386385
C -2.361298 1.674453 -0.786366
C 1.205359 2.663887 1.254333
C -2.558821 -0.568474 0.089696
C 0.773116 3.467620 0.023594
C -3.160016 0.556875 -0.521566
C 1.366751 -1.723286 -1.003964
C 3.008613 -1.193620 0.733913
C 2.080344 -2.900938 -1.316605
C 3.715398 -2.372140 0.424825
C 3.253280 -3.232070 -0.601123
H -0.759602 -1.506230 0.827956
H -0.614006 3.471316 -1.486053
H -2.809222 2.569245 -1.233118
H 1.932108 3.276855 1.806168
H 0.309889 2.495162 1.893345
H -4.227013 0.539247 -0.756716
H 0.471108 -1.469711 -1.581184
H 3.359920 -0.510714 1.513168
H 1.723281 -3.555761 -2.118734
H 4.624279 -2.624315 0.981921
H 3.802709 -4.149346 -0.840037


