%chk=000005041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005041

0 1
 I    8.028900       1.641100     -0.8128000    
 O   -4.660100     -0.3171000     -0.4081000    
 N    1.625700     -0.8790000      0.6452000    
 N   -2.042300     -0.1987000      -1.323900    
 N   -1.787900       1.944500     -0.3337000    
 C  -0.8820000     -0.9252000     -0.8583000    
 C   0.3877000     -0.2802000      -1.411800    
 C  -0.8475000     -0.9328000      0.6697000    
 C    1.640800     -0.9316000     -0.8234000    
 C   0.4454000      -1.564400       1.189800    
 C    2.852200      -1.460600       1.190600    
 C   -2.576200      0.8651000     -0.5883000    
 C   -2.660400     -0.6096000      -2.582900    
 C    4.079100     -0.7269000      0.7184000    
 C   -3.894800      0.7739000     -0.1447000    
 C    4.708300      -1.131700     -0.4503000    
 C    4.562500      0.3440000       1.456900    
 C   -4.424500       1.830500      0.5877000    
 C   -2.337200       2.952000      0.3812000    
 C    5.844300     -0.4518000     -0.8895000    
 C    5.698400       1.024100       1.017700    
 C   -5.161900      -1.047100      0.7120000    
 C   -3.637500       2.943900      0.8600000    
 C    6.339400      0.6262000     -0.1556000    
 C   -6.682500      -1.021900      0.6853000    
 C   -4.617800      -2.466800      0.6690000    
 H  -0.9329000      -1.965500      -1.207100    
 H   0.4114000      0.7950000      -1.194300    
 H   0.4106000     -0.3707000      -2.504900    
 H   -1.699500      -1.482300       1.077700    
 H  -0.8924000      7.3500000E-02   1.100600    
 H    1.724200      -1.964900      -1.184900    
 H    2.466900     -0.3535000      -1.245000    
 H   0.4450000      -1.491700       2.284400    
 H   0.4608000      -2.632400      0.9352000    
 H    2.938700      -2.525900      0.9343000    
 H    2.827600      -1.422200       2.288100    
 H   -3.184100      0.2241000      -3.063400    
 H   -3.371200      -1.424500      -2.412700    
 H   -1.903000     -0.9677000      -3.288500    
 H    4.344600      -1.979200      -1.024700    
 H    4.069500      0.6637000       2.370600    
 H   -5.449200       1.808300      0.9462000    
 H   -1.682200       3.796900      0.5662000    
 H    6.330100     -0.7803000      -1.804900    
 H    6.066800       1.862100       1.604100    
 H   -4.826300     -0.6003000       1.657900    
 H   -4.029900       3.780000       1.427400    
 H   -7.104100      -1.578100       1.528100    
 H   -7.057300      5.7999999E-03  0.7257000    
 H   -7.062800      -1.456900     -0.2457000    
 H   -4.956100      -3.047900       1.532300    
 H   -3.527200      -2.475300      0.6487000    
 H   -4.945600      -2.978200     -0.2432000    


%chk=000005041-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005041

0 1
I 7.920471 3.017281 -1.069565
O -4.847372 -0.662878 0.102969
N 2.219252 -1.185263 0.456111
N -2.058608 -0.987983 -0.393561
N -1.659534 1.137719 0.581515
C -0.625993 -1.375714 -0.244645
C 0.370172 -0.537023 -1.090011
C -0.141706 -1.440334 1.221167
C 1.790333 -1.123114 -0.964084
C 1.292242 -2.007095 1.271673
C 3.631356 -1.592990 0.608082
C -2.561686 0.191628 0.171525
C -2.731654 -1.653961 -1.528308
C 4.617288 -0.512887 0.169417
C -3.981362 0.410946 0.387126
C 5.883185 -0.861177 -0.359487
C 4.303149 0.858812 0.332883
C -4.404496 1.642476 0.924860
C -2.089219 2.300438 1.147815
C 6.828270 0.131135 -0.710203
C 5.230937 1.865350 -0.016044
C -6.302643 -0.539091 0.411543
C -3.448399 2.616601 1.310500
C 6.490572 1.489543 -0.532381
C -7.020421 0.237134 -0.707527
C -6.800497 -1.981473 0.552790
H -0.587551 -2.417345 -0.636156
H 0.351184 0.501967 -0.723587
H 0.069069 -0.538733 -2.156035
H -0.818544 -2.087295 1.811271
H -0.152022 -0.428563 1.657336
H 1.817925 -2.146748 -1.428811
H 2.508993 -0.494294 -1.519927
H 1.654139 -2.009456 2.317353
H 1.282099 -3.074940 0.920949
H 3.863326 -2.544205 0.061288
H 3.797259 -1.806370 1.683946
H -3.771357 -1.316397 -1.614474
H -2.740447 -2.750185 -1.379211
H -2.201329 -1.436545 -2.480313
H 6.142823 -1.917336 -0.504779
H 3.314801 1.122094 0.725807
H -5.467410 1.845368 1.081889
H -1.301522 2.993935 1.463994
H 7.802590 -0.154029 -1.117403
H 4.973063 2.920625 0.113220
H -6.407017 -0.013317 1.383123
H -3.760016 3.575078 1.735427
H -8.091321 0.359338 -0.461334
H -6.584235 1.239274 -0.858492
H -6.945722 -0.316955 -1.660014
H -7.879145 -1.991610 0.792981
H -6.254396 -2.504021 1.356075
H -6.646376 -2.535615 -0.389885


