%chk=000031415.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031415

0 1
 O   0.1447000      -2.528100     -0.1781000    
 O    2.776900      -3.057000     -0.1882000    
 O   -4.213200      -1.209300      0.7636000    
 O   -4.927200       1.385500      8.4799998E-02
 N    2.080700       3.312900     -0.2329000    
 C    1.065800       2.338700      0.1979000    
 C    1.515500      0.8919000      6.4999998E-02
 C  -0.2244000       2.572800     -0.6038000    
 C    2.890900      0.5871000      2.7000001E-02
 C   0.5386000     -0.1338000      4.3699998E-02
 C    3.920100       1.688400     -1.4000000E-03
 C   -1.281900       1.558800     -0.2284000    
 C    3.354400       3.040100      0.4337000    
 C  -0.8987000      0.2318000      8.0300003E-02
 C   0.9889000      -1.462400     -4.0399998E-02
 C    3.299100     -0.7461000     -5.7999998E-02
 C    2.352100      -1.764600     -8.8200003E-02
 C   -2.634200       1.931400     -0.2370000    
 C   -1.915600     -0.6791000      0.4167000    
 C   -3.260200     -0.2963000      0.4220000    
 C   -3.619500       1.005400      9.0499997E-02
 C  -0.1793000      -2.925300      -1.507000    
 C    3.002600      -3.759300       1.031500    
 C   -4.775900      -1.983600     -0.2932000    
 H   0.8527000       2.508800       1.263800    
 H  -3.9900001E-02   2.487300      -1.683200    
 H  -0.5940000       3.588100     -0.4106000    
 H    4.761700       1.429000      0.6519000    
 H    4.303500       1.767100      -1.026800    
 H    1.766300       4.253500      4.1000000E-03
 H    3.224100       3.070500       1.523200    
 H    4.072700       3.827400      0.1795000    
 H    4.357700     -0.9891000     -0.1105000    
 H   -2.917400       2.948700     -0.4968000    
 H   -1.704100      -1.690600      0.7454000    
 H  -0.5437000      -2.077200      -2.095700    
 H  -0.9716000      -3.677200      -1.455000    
 H   0.6908000      -3.371900      -1.997800    
 H   -5.469500      0.6336000      0.3786000    
 H    3.326200      -4.774900      0.7874000    
 H    2.081300      -3.817800       1.619700    
 H    3.790200      -3.271600       1.614600    
 H   -5.543100      -2.636700      0.1315000    
 H   -4.006400      -2.606000     -0.7609000    
 H   -5.242500      -1.337900      -1.043800    


%chk=000031415-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031415

0 1
O 0.025593 -2.463139 -0.468850
O 2.799889 -3.036041 -0.363623
O -4.472225 -0.938474 0.394849
O -4.997498 1.597523 -0.291038
N 2.104837 3.371752 -0.013059
C 1.005774 2.413814 0.221901
C 1.488703 0.970543 0.062230
C -0.154968 2.672397 -0.757646
C 2.871116 0.661980 0.080220
C 0.495772 -0.053712 -0.100094
C 3.923045 1.757115 0.214120
C -1.277261 1.689790 -0.475317
C 3.320715 3.061699 0.767147
C -0.942129 0.341735 -0.137042
C 0.945430 -1.398621 -0.250464
C 3.281613 -0.687544 -0.032232
C 2.332054 -1.709856 -0.188834
C -2.628215 2.098468 -0.527351
C -1.996619 -0.568443 0.169221
C -3.332342 -0.146381 0.117436
C -3.660747 1.190476 -0.240943
C 0.037393 -2.965582 -1.863041
C 2.391411 -3.988032 0.692982
C -4.244616 -2.328812 0.788666
H 0.593165 2.507978 1.263058
H 0.235887 2.558271 -1.788813
H -0.518477 3.712668 -0.656619
H 4.751108 1.410788 0.862290
H 4.354037 1.967429 -0.784267
H 1.787085 4.342409 0.103451
H 3.110645 2.940248 1.859460
H 4.040712 3.892228 0.655493
H 4.342018 -0.960369 -0.003356
H -2.892746 3.128704 -0.785379
H -1.741401 -1.595950 0.430447
H -0.283314 -2.166344 -2.557063
H -0.683684 -3.797829 -1.888181
H 1.047472 -3.324725 -2.130166
H -5.565487 0.819233 -0.044558
H 2.811592 -4.959644 0.390062
H 1.290960 -4.046369 0.764092
H 2.819250 -3.682040 1.667201
H -5.245166 -2.758859 0.943718
H -3.660785 -2.383467 1.727224
H -3.714396 -2.884010 -0.008631


