%chk=000022758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022758

2 1
 O   -5.493100       1.678400      0.2337000    
 N    1.482700      -1.151900     -0.3477000    
 N   -3.443100     -0.3535000      0.1406000    
 C    3.207400      0.5165000     -0.6216000    
 C    3.554400     -0.3370000      0.5900000    
 C    1.704400      0.3395000     -0.7279000    
 C    2.810900      -1.628600      0.3063000    
 C   0.3292000      -1.277900      0.6345000    
 C    3.704800       1.947600     -0.4352000    
 C    5.067700     -0.4538000      0.7533000    
 C    1.181200      -1.978800      -1.587400    
 C  -0.9759000     -0.8161000     -5.4000001E-03
 C   -2.215200     -0.8947000      0.8798000    
 C    5.120500       1.966800      8.1900001E-02
 C    5.735400      0.8888000      0.5982000    
 C   -3.182400       1.111000     -0.2299000    
 C   -4.651300     -0.4308000       1.081200    
 C   -3.645800      -1.217600      -1.102400    
 C   -4.454200       1.771900     -0.7382000    
 C   -5.837400      0.3201000      0.4962000    
 H    3.679100      9.3599997E-02  -1.521700    
 H    3.136300      0.1209000       1.499400    
 H    1.188500      0.9656000      8.5000005E-03
 H    1.311200      0.5294000      -1.730900    
 H    3.340700      -2.260400     -0.4147000    
 H    2.585100      -2.207600       1.207000    
 H   0.5747000     -0.6772000       1.518100    
 H   0.2632000      -2.330500      0.9342000    
 H    3.069600       2.498000      0.2689000    
 H    3.657700       2.476000      -1.394100    
 H    5.492400      -1.141700      1.2600000E-02
 H    5.295400     -0.8640000       1.743700    
 H   0.9073000      -2.990900      -1.276300    
 H   0.3900000      -1.506600      -2.174300    
 H    2.085200      -2.008500      -2.204600    
 H  -0.8302000      0.2007000     -0.3675000    
 H   -1.160300      -1.452200     -0.8712000    
 H   -2.080700     -0.2938000       1.787000    
 H   -2.430100      -1.928600       1.175100    
 H    5.660900       2.907100      2.3300000E-02
 H    6.766100      0.9753000      0.9299000    
 H   -2.426800       1.162000      -1.017300    
 H   -2.828100       1.613800      0.6772000    
 H   -4.343900      3.4800000E-02   2.024900    
 H   -4.880000      -1.488100       1.251900    
 H   -3.583700      -2.271400     -0.8147000    
 H   -4.632700      -1.017300      -1.524000    
 H   -2.898900     -0.9615000      -1.858000    
 H   -4.266100       2.835600     -0.9168000    
 H   -4.795400       1.341900      -1.686700    
 H   -6.236700     -0.1445000     -0.4109000    
 H   -6.652100      0.3279000       1.228000    


%chk=000022758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022758

2 1
O -5.757952 1.624026 0.493462
N 1.573276 -1.102423 -0.482742
N -3.557806 -0.314348 0.051416
C 3.438150 0.502042 -0.598895
C 3.620565 -0.331578 0.696479
C 1.931657 0.379455 -0.862955
C 2.784094 -1.588386 0.424481
C 0.271556 -1.193599 0.332365
C 3.992681 1.929827 -0.413945
C 5.117691 -0.558115 0.995653
C 1.503204 -1.969996 -1.735989
C -1.000478 -0.687423 -0.394877
C -2.171846 -0.707636 0.616505
C 5.370186 1.862768 0.237397
C 5.874119 0.756935 0.845475
C -3.534551 1.152172 -0.461283
C -4.570273 -0.402117 1.241339
C -3.977310 -1.278436 -1.057085
C -4.950890 1.696365 -0.723769
C -5.930787 0.227925 0.900833
H 4.006777 0.015190 -1.417941
H 3.183230 0.239200 1.541913
H 1.367165 1.041985 -0.182676
H 1.618905 0.558485 -1.903768
H 3.347089 -2.329476 -0.167114
H 2.369342 -2.080003 1.318697
H 0.454421 -0.611335 1.253508
H 0.153259 -2.255405 0.614885
H 3.307814 2.541283 0.212053
H 4.068887 2.449517 -1.387718
H 5.545105 -1.320932 0.310928
H 5.258025 -0.951561 2.020121
H 1.349212 -3.020976 -1.444411
H 0.685488 -1.631304 -2.389279
H 2.455330 -1.877193 -2.279325
H -0.836988 0.336917 -0.773917
H -1.225530 -1.342032 -1.254716
H -1.973924 -0.006933 1.447205
H -2.299780 -1.718868 1.044905
H 5.975970 2.774999 0.188898
H 6.884528 0.788250 1.269307
H -2.920419 1.183671 -1.376950
H -3.056361 1.748494 0.334989
H -4.109663 0.154159 2.075303
H -4.665632 -1.468120 1.512388
H -3.854571 -2.312625 -0.699524
H -5.031037 -1.107538 -1.313642
H -3.361905 -1.107657 -1.952286
H -4.875942 2.765728 -0.977919
H -5.452903 1.177492 -1.566780
H -6.488206 -0.343006 0.129824
H -6.545071 0.249834 1.815178


