%chk=000046977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046977

1 1
 O    2.040000      3.2600001E-02  0.7997000    
 O    2.395000      0.1305000      -1.484600    
 N   -3.468600      0.2901000     -0.1707000    
 N    4.232500     -6.0000003E-04 -6.4800002E-02
 C   -1.963600      0.2028000      9.3800001E-02
 C   -3.880300       1.759600     -0.1819000    
 C   -4.205300     -0.4718000      0.9274000    
 C   -3.855100     -0.3226000      -1.515200    
 C   -1.399500      -1.027900      0.1428000    
 C   -1.316600       1.383900      0.2590000    
 C  -2.6900001E-02  -1.086800      0.3848000    
 C   5.6000002E-02   1.325000      0.5012000    
 C   -2.156200      -2.302000     -4.5299999E-02
 C   0.7007000      8.9599997E-02  0.5639000    
 C    2.863700      5.9799999E-02 -0.3491000    
 C    5.206100      1.8300001E-02  -1.147200    
 C    4.778300     -8.0600001E-02   1.286200    
 H   -3.397700       2.281400      -1.015700    
 H   -4.963100       1.794700     -0.3564000    
 H   -3.705400       2.206300      0.8032000    
 H   -3.627800     -0.4423000       1.857200    
 H   -5.156100      4.5000002E-02   1.103200    
 H   -4.466700      -1.486200      0.6245000    
 H   -4.208000      -1.349500      -1.413200    
 H   -4.695500      0.2495000      -1.924800    
 H   -3.010300     -0.2413000      -2.206400    
 H   -1.720900       2.384800      0.2269000    
 H   0.4876000      -2.043300      0.4378000    
 H   0.6189000       2.244300      0.6402000    
 H   -1.439600      -3.137100     -3.6600001E-02
 H   -2.813800      -2.542800      0.7891000    
 H   -2.621700      -2.408300      -1.021500    
 H    4.722200      7.8000002E-02  -2.125300    
 H    5.802300     -0.8976000      -1.100400    
 H    5.858000      0.8873000      -1.019200    
 H    5.368400     -0.9977000       1.371000    
 H    3.996800     -9.1600001E-02   2.048200    
 H    5.424100      0.7862000       1.454000    


%chk=000046977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046977

1 1
O 2.137860 0.408925 0.242511
O 2.715834 -1.696577 -0.715521
N -3.619608 0.342283 -0.005975
N 4.353911 -0.211304 0.076365
C -2.079946 0.259005 0.050105
C -4.164363 1.649169 0.583729
C -4.264820 -0.786486 0.811904
C -4.091267 0.296907 -1.467812
C -1.371882 -0.925029 -0.325030
C -1.372646 1.417633 0.454587
C 0.046485 -0.886523 -0.271582
C 0.028798 1.431234 0.503279
C -1.953082 -2.274949 -0.745107
C 0.749198 0.271399 0.137978
C 3.076705 -0.617011 -0.185276
C 5.463103 -1.112820 -0.301506
C 4.737478 1.068028 0.703745
H -3.816409 2.504675 -0.011020
H -5.262872 1.601126 0.537878
H -3.841072 1.745656 1.629853
H -3.873209 -0.734487 1.838380
H -5.356427 -0.641474 0.810213
H -4.022120 -1.757445 0.370204
H -3.755450 -0.634000 -1.937838
H -5.191011 0.356278 -1.491896
H -3.648568 1.152918 -1.997565
H -1.884119 2.336194 0.743895
H 0.615549 -1.771571 -0.560514
H 0.570193 2.327076 0.817349
H -1.191400 -2.836664 -1.308315
H -2.206018 -2.892695 0.137833
H -2.845253 -2.228773 -1.391111
H 5.054519 -2.020291 -0.767991
H 6.044870 -1.393692 0.595226
H 6.134532 -0.605020 -1.017526
H 5.325640 0.871889 1.619219
H 3.846575 1.649762 0.966864
H 5.362189 1.656353 0.006268


