%chk=000016026.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016026

0 1
 O   0.3034000     -0.2237000      0.5839000    
 O  -0.2414000     -0.4272000      -1.678900    
 O    1.078400       2.394600      0.1166000    
 O    2.138400      -2.273500      0.2684000    
 N   -2.636700      0.5212000      0.2420000    
 C   -1.940000     -0.7497000      4.8500001E-02
 C   -2.730100      -1.686500     -0.8749000    
 C   -2.697200       1.267800      -1.014100    
 C   -3.983000      0.2917000      0.7653000    
 C  -0.5516000     -0.4517000     -0.4945000    
 C   -2.106300      -3.065100      -1.065400    
 C   -3.364000       2.618900     -0.8181000    
 C   -3.939700     -0.4834000       2.071300    
 C    1.613100      6.1200000E-02  0.1914000    
 C    1.968700       1.374200     -3.2499999E-02
 C    2.503800     -0.9806000      4.3000001E-02
 C    3.277000       1.659100     -0.4236000    
 C    3.812100     -0.6958000     -0.3480000    
 C    4.198700      0.6241000     -0.5813000    
 C   0.9926000       2.996400       1.406700    
 C    2.304000      -2.772000       1.594400    
 H   -1.775800      -1.267700       1.001700    
 H   -3.737200      -1.882700     -0.4964000    
 H   -2.842400      -1.266900      -1.880300    
 H   -3.238500      0.7477000      -1.810900    
 H   -1.695800       1.501200      -1.388100    
 H   -4.429300       1.256000       1.035900    
 H   -4.680200     -0.1637000      5.3500000E-02
 H   -1.125200      -3.001900      -1.545000    
 H   -1.985700      -3.572400     -0.1029000    
 H   -2.747900      -3.687100      -1.698000    
 H   -3.199600       3.241800      -1.704800    
 H   -2.944500       3.157100      3.9000001E-02
 H   -4.448000       2.537500     -0.6917000    
 H   -4.917700     -0.4259000       2.562800    
 H   -3.204500     -6.4999998E-02   2.767600    
 H   -3.726300      -1.546800       1.928200    
 H    3.585000       2.684700     -0.6081000    
 H    4.535300      -1.497000     -0.4736000    
 H    5.217300      0.8457000     -0.8861000    
 H   0.2331000       3.782100       1.367800    
 H    1.950400       3.447600       1.683900    
 H   0.6931000       2.257800       2.157000    
 H    1.703500      -2.191500       2.301900    
 H    1.961600      -3.810300       1.615100    
 H    3.358800      -2.744900       1.885300    


%chk=000016026-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016026

0 1
O 0.348669 -0.270406 0.557405
O -0.156666 -0.126170 -1.732271
O 1.387893 2.542991 0.737993
O 2.149205 -2.272664 -0.229104
N -2.712954 0.495261 0.027739
C -1.925539 -0.769262 -0.110433
C -2.524507 -1.853852 -1.047652
C -3.139644 1.119594 -1.258105
C -3.787748 0.399868 1.053300
C -0.517750 -0.373652 -0.569270
C -1.763799 -3.194704 -0.952212
C -3.291389 2.648586 -1.143488
C -3.261916 0.506173 2.498483
C 1.712801 0.089070 0.294375
C 2.159360 1.433004 0.387352
C 2.609983 -0.942918 -0.091756
C 3.508937 1.724394 0.054322
C 3.945497 -0.642429 -0.419838
C 4.382874 0.701587 -0.357291
C 0.173906 2.388225 1.568026
C 1.824081 -2.948973 1.045311
H -1.822701 -1.192117 0.904804
H -3.587620 -2.001784 -0.772555
H -2.500972 -1.489499 -2.091063
H -4.093471 0.675616 -1.632258
H -2.365461 0.899408 -2.013918
H -4.491543 1.231859 0.872436
H -4.379409 -0.541192 0.937964
H -0.701790 -3.073133 -1.235769
H -1.799560 -3.603141 0.076344
H -2.205599 -3.948124 -1.628655
H -3.592700 3.075338 -2.118232
H -2.332603 3.106569 -0.843347
H -4.057580 2.938486 -0.401063
H -4.098966 0.441051 3.218547
H -2.743746 1.469787 2.645567
H -2.548624 -0.302646 2.740110
H 3.834554 2.766218 0.124966
H 4.607775 -1.455222 -0.730604
H 5.416949 0.949419 -0.618951
H -0.032151 3.406318 1.934624
H 0.362590 1.708245 2.418759
H -0.680563 2.011434 0.980427
H 1.052985 -2.391546 1.607962
H 1.442910 -3.941730 0.760963
H 2.735706 -3.057932 1.664056


