%chk=000012478.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012478

0 1
 O   -4.687000      0.7844000       1.256300    
 O   -1.746200      -1.448600      -2.025100    
 O    2.744000      -1.900900       1.029600    
 O    2.122700       2.301500      -1.182500    
 O    3.749100      0.5486000      0.2151000    
 N   -2.550200     -0.5181000     -3.8100000E-02
 C   -2.333500      0.1878000       1.230600    
 C   -3.931600     -0.9391000     -0.2660000    
 C   -3.361200       1.301000       1.396400    
 C   -4.885100      0.2262000     -4.5400001E-02
 C   -1.560600     -0.8567000     -0.9627000    
 C  -0.1717000     -0.4896000     -0.6560000    
 C   0.3261000      0.7438000      -1.068000    
 C   0.6396000      -1.376400      4.7100000E-02
 C    1.957800      -1.027400      0.3403000    
 C    1.644500       1.092700     -0.7748000    
 C    2.460400      0.2072000     -7.0699997E-02
 C    3.500000      -2.836300      0.2630000    
 C    1.969400       3.396400     -0.2816000    
 C    4.113500      0.6036000       1.592300    
 H   -1.324000      0.5955000       1.309200    
 H   -2.459400     -0.5601000       2.022400    
 H   -4.136100      -1.736500      0.4583000    
 H   -4.057700      -1.353000      -1.270900    
 H   -3.276600       1.744100       2.393500    
 H   -3.205300       2.098900      0.6606000    
 H   -4.743100       1.008700     -0.8003000    
 H   -5.921900     -0.1182000     -0.1097000    
 H  -0.3079000       1.436100      -1.616700    
 H   0.2499000      -2.338800      0.3702000    
 H    4.084700      -3.451000      0.9528000    
 H    4.187800      -2.316400     -0.4113000    
 H    2.833800      -3.489200     -0.3097000    
 H    2.497000       3.201500      0.6572000    
 H   0.9092000       3.584800     -8.4399998E-02
 H    2.401800       4.286200     -0.7471000    
 H    4.590000     -0.3339000       1.892000    
 H    3.256700      0.8203000       2.239900    
 H    4.844400       1.408300       1.714800    


%chk=000012478-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012478

0 1
O -5.100307 -0.183377 1.464357
O -2.092367 0.248437 -2.213785
O 2.295775 -1.655058 1.347700
O 2.249614 2.736150 -0.951955
O 3.685740 0.770470 0.600558
N -2.730218 -0.590973 -0.136560
C -2.646150 -0.614813 1.341428
C -4.069490 -0.950814 -0.660835
C -3.779599 0.245596 1.946196
C -5.155968 -0.077845 -0.007190
C -1.787696 -0.045185 -1.010844
C -0.375742 0.150888 -0.515376
C 0.318378 1.305754 -0.943968
C 0.309210 -0.840870 0.230407
C 1.663278 -0.655416 0.571614
C 1.666873 1.513313 -0.581439
C 2.345869 0.541648 0.210527
C 3.459360 -2.306958 0.699352
C 3.534163 2.676140 -1.685832
C 3.862174 0.969510 2.061935
H -1.670985 -0.225212 1.672158
H -2.749956 -1.658768 1.699326
H -4.263946 -2.016553 -0.429116
H -4.053781 -0.805212 -1.753724
H -3.812261 0.129832 3.042375
H -3.613007 1.315335 1.690950
H -5.026613 0.982022 -0.313950
H -6.164508 -0.422707 -0.287468
H -0.183300 2.048158 -1.570383
H -0.172994 -1.779489 0.519854
H 3.842409 -3.022944 1.442207
H 4.234183 -1.563812 0.440110
H 3.132337 -2.845628 -0.209921
H 3.390952 2.161497 -2.655368
H 4.305250 2.161364 -1.089586
H 3.811725 3.726988 -1.858499
H 3.513750 0.080527 2.617142
H 3.308221 1.868050 2.389743
H 4.942925 1.117354 2.208459


