%chk=000020199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020199

0 1
 O   -2.863500      9.8399997E-02   2.889400    
 O    3.684100       3.463000      -1.544100    
 O    4.434800       1.495700     -0.9235000    
 N   -1.558000       1.192000       1.298900    
 N   -3.506000     -0.3689000      -2.294500    
 N   8.3999997E-03  -1.192800       2.338900    
 N    3.515900       2.347500     -0.9945000    
 C   -2.719100       1.880200      0.7348000    
 C   -3.001300       1.466300     -0.7082000    
 C  -0.2730000       1.433300      0.7010000    
 C   -3.256300     -3.1700000E-02 -0.8984000    
 C   0.7717000      0.4856000      0.7107000    
 C   -1.756800      0.3864000       2.426200    
 C   0.5906000     -0.9049000       1.224200    
 C  -0.5130000     -9.7199999E-02   3.128500    
 C  -3.0400001E-02   2.663400      5.7799999E-02
 C    2.028700      0.8040000      0.1649000    
 C    2.247600       2.039900     -0.4356000    
 C    1.091400      -2.046800      0.4056000    
 C    1.214600       2.964400     -0.5002000    
 C   -4.689400      0.3357000      -2.791400    
 C   -3.672200      -1.814700      -2.454100    
 C    1.126600      -1.935700     -0.9791000    
 C    1.517800      -3.209200       1.036400    
 C    1.595200      -3.003400      -1.744700    
 C    1.986500      -4.276800      0.2707000    
 C    2.025100      -4.173800      -1.119800    
 H   -2.595600       2.963900      0.8300000    
 H   -3.611000       1.652400       1.330800    
 H   -2.186300       1.779600      -1.370500    
 H   -3.880800       2.045700      -1.011000    
 H   -4.092200     -0.3449000     -0.2587000    
 H   -2.371400     -0.5830000     -0.5578000    
 H   0.2063000      0.7113000       3.299100    
 H  -0.7952000     -0.4725000       4.118400    
 H  -0.7811000       3.445800      3.5000001E-03
 H    2.832000      7.2200000E-02  0.2219000    
 H    1.340500       3.938500     -0.9664000    
 H   -4.953300     -2.3100000E-02  -3.793800    
 H   -4.503300       1.406900      -2.915200    
 H   -5.563900      0.1927000      -2.146400    
 H   -3.805500      -2.073300      -3.510600    
 H   -2.775500      -2.345200      -2.114400    
 H   -4.533000      -2.196600      -1.893200    
 H   0.7667000      -1.054100      -1.501400    
 H    1.505500      -3.309200       2.118200    
 H    1.617700      -2.926700      -2.827900    
 H    2.323000      -5.187800      0.7571000    
 H    2.388600      -5.005700      -1.716000    


%chk=000020199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020199

0 1
O -2.787923 0.523770 3.280094
O 3.567987 3.630621 -1.643887
O 4.300083 1.506496 -1.235729
N -1.556046 1.296111 1.443872
N -3.159073 -0.464709 -2.180601
N -0.000978 -1.147320 2.360381
N 3.409586 2.439996 -1.164858
C -2.796018 1.902258 0.866463
C -3.030737 1.494003 -0.603097
C -0.300841 1.543377 0.814382
C -3.243548 -0.026454 -0.767620
C 0.691178 0.515750 0.653023
C -1.681935 0.616955 2.686123
C 0.490267 -0.878420 1.165513
C -0.388427 -0.007264 3.223418
C -0.054372 2.838025 0.269001
C 1.903802 0.833133 -0.006290
C 2.127184 2.130590 -0.497110
C 0.887450 -2.034557 0.304676
C 1.149444 3.144403 -0.375662
C -4.241391 0.082941 -3.025056
C -3.074939 -1.937852 -2.291555
C 0.867571 -1.946264 -1.114420
C 1.243550 -3.268593 0.914313
C 1.205581 -3.066939 -1.904217
C 1.585697 -4.383085 0.123711
C 1.570275 -4.286338 -1.289416
H -2.763834 3.003882 0.965586
H -3.617975 1.546801 1.511365
H -2.182004 1.800504 -1.243600
H -3.918307 2.054137 -0.954958
H -4.220369 -0.314990 -0.295914
H -2.452484 -0.562653 -0.208887
H 0.402354 0.772563 3.280467
H -0.603729 -0.383922 4.233279
H -0.812615 3.617482 0.379284
H 2.676522 0.071536 -0.141099
H 1.352398 4.141281 -0.774891
H -4.105742 -0.264311 -4.064646
H -4.204075 1.185597 -3.034159
H -5.263175 -0.228571 -2.686353
H -2.932973 -2.221633 -3.349951
H -2.205419 -2.306761 -1.718992
H -3.987930 -2.464239 -1.913598
H 0.564594 -1.014399 -1.604343
H 1.237636 -3.328459 2.006853
H 1.180077 -2.988061 -2.996415
H 1.866917 -5.326425 0.604480
H 1.838908 -5.153192 -1.903360


