%chk=000005105.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005105

0 1
 O    2.031400      -1.845700       1.271400    
 O   0.7647000       2.702700      -1.245100    
 O   0.5627000       1.428700       1.191100    
 O    2.053300       1.191500      -2.425600    
 N   -2.873900     -0.6538000      0.4073000    
 N    2.878600       1.535900       1.392200    
 C   -2.831700      0.5361000     -0.4543000    
 C   -4.174400     -0.7763000       1.080700    
 C   -3.083800       1.810600      0.3526000    
 C   -4.470200      0.4554000       1.937900    
 C   -4.403700       1.734700       1.111700    
 C   -2.584700      -1.858700     -0.3700000    
 C   -1.107300      -2.037700     -0.5983000    
 C  -0.2114000      -1.855900      0.4553000    
 C  -0.6345000      -2.385600      -1.863600    
 C    1.157200      -2.022200      0.2435000    
 C   0.7341000      -2.551900      -2.075500    
 C    1.629900      -2.370200      -1.021900    
 C    3.338900      -1.380700      0.9395000    
 C    3.891300     -0.5879000       2.117900    
 C    3.023900      0.6099000       2.482000    
 C    1.650800       1.871100      0.8329000    
 C    1.797200       2.868400     -0.2966000    
 C    1.019800       1.828000      -2.270700    
 C  -0.1581000       1.753400      -3.194300    
 H   -3.572000      0.4636000      -1.262100    
 H   -1.846000      0.6289000     -0.9231000    
 H   -4.172500      -1.652400       1.740700    
 H   -4.980300     -0.9197000      0.3488000    
 H   -2.262800       1.964500       1.063800    
 H   -3.091700       2.677500     -0.3179000    
 H   -5.462700      0.3603000       2.392800    
 H   -3.745500      0.5133000       2.760000    
 H   -5.237400       1.754200      0.3992000    
 H   -4.514600       2.609200       1.762100    
 H   -3.142400      -1.865700      -1.316000    
 H   -2.907100      -2.754700      0.1786000    
 H  -0.5641000      -1.595400       1.450300    
 H   -1.321100      -2.531500      -2.693200    
 H    1.101200      -2.828300      -3.059600    
 H    2.684000      -2.536700      -1.223000    
 H    3.985100      -2.245800      0.7509000    
 H    3.338100     -0.7376000      5.0400000E-02
 H    3.959200      -1.241100       2.996100    
 H    4.907200     -0.2531000       1.876900    
 H    3.495500       1.161100       3.302900    
 H    2.040100      0.2835000       2.835300    
 H    3.719400       1.992500       1.051200    
 H    2.787900       2.814100     -0.7622000    
 H    1.699600       3.870500      0.1347000    
 H  -0.3556000      0.7071000      -3.441500    
 H   5.5300001E-02   2.325100      -4.100300    
 H   -1.054000       2.160300      -2.716800    


%chk=000005105-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005105

0 1
O 1.906826 -1.535401 0.941188
O 0.666006 2.419855 -1.191445
O 0.563837 2.252893 2.176397
O 2.867088 1.817493 -1.660953
N -3.044290 -0.706938 0.406718
N 2.615317 1.671976 1.212098
C -2.816790 0.595780 -0.270831
C -4.367141 -0.758479 1.074397
C -2.906483 1.766489 0.729068
C -4.494197 0.365667 2.122845
C -4.261061 1.749299 1.473311
C -2.795885 -1.864332 -0.477993
C -1.313119 -2.066805 -0.787461
C -0.343210 -1.731459 0.180431
C -0.895039 -2.606386 -2.032477
C 1.031395 -1.915537 -0.091632
C 0.479181 -2.801858 -2.293292
C 1.458107 -2.452127 -1.333010
C 3.291791 -1.192770 0.576782
C 3.891148 -0.420694 1.761978
C 2.998200 0.729054 2.276489
C 1.404274 2.327745 1.227051
C 1.132873 3.210901 -0.008696
C 1.641402 1.777302 -1.951015
C 1.029300 1.032745 -3.109758
H -3.569996 0.746894 -1.091122
H -1.815765 0.580453 -0.738198
H -4.474340 -1.747023 1.560941
H -5.204382 -0.659600 0.331229
H -2.072628 1.688927 1.452021
H -2.777577 2.719735 0.179699
H -5.494414 0.317014 2.595684
H -3.736985 0.199249 2.913000
H -5.081818 1.959339 0.754987
H -4.290800 2.545529 2.241011
H -3.362665 -1.797006 -1.443425
H -3.176734 -2.766376 0.043535
H -0.660028 -1.286956 1.128968
H -1.641127 -2.865251 -2.793297
H 0.798284 -3.224694 -3.253036
H 2.519944 -2.606246 -1.549223
H 3.878215 -2.114009 0.381963
H 3.286422 -0.576230 -0.345199
H 4.057955 -1.112042 2.608597
H 4.886479 -0.041713 1.453122
H 3.527745 1.266589 3.088766
H 2.066352 0.323734 2.703917
H 3.187030 1.759980 0.362091
H 2.028403 3.788172 -0.302994
H 0.284459 3.870406 0.215836
H 0.799560 -0.002818 -2.794546
H 1.750238 0.985443 -3.940507
H 0.091543 1.507586 -3.434912


