%chk=000127458.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127458

0 1
 O   -1.142300     -0.5318000      -2.002100    
 O   -3.450400       1.377100       1.515100    
 N   -2.548400      0.5169000     -0.4606000    
 N    4.855000      0.9792000     -0.1996000    
 C  -0.6300000     -0.5548000      0.3806000    
 C   -1.318500      0.2516000       1.504000    
 C  -0.8629000      -2.061000      0.6167000    
 C   -1.440800     -0.1994000     -0.8617000    
 C   0.8340000     -0.1453000      0.2254000    
 C   -2.581700      0.7856000      0.8889000    
 C  -0.2991000      -2.892100     -0.5194000    
 C    1.168100      0.9530000     -0.5641000    
 C    1.830100     -0.8718000      0.8743000    
 C   -3.588400      0.9639000      -1.367500    
 C    2.504700       1.326300     -0.7057000    
 C    3.166600     -0.4982000      0.7329000    
 C    3.503900      0.6007000     -5.7200000E-02
 H  -0.7202000       1.106500       1.839600    
 H   -1.566000     -0.3630000       2.375500    
 H   -1.936600      -2.278200      0.6996000    
 H  -0.4221000      -2.385400       1.566400    
 H  -0.9425000      -2.865500      -1.403600    
 H   0.7150000      -2.623900     -0.8222000    
 H  -0.2681000      -3.943000     -0.2080000    
 H   0.4144000       1.554200      -1.064000    
 H    1.609500      -1.718300       1.515200    
 H   -3.421300      0.5820000      -2.377300    
 H   -3.591300       2.057900      -1.378800    
 H   -4.557100      0.6223000     -0.9912000    
 H    2.754500       2.187800      -1.319800    
 H    3.936000      -1.068300       1.247300    
 H    5.580300      0.4524000      0.2686000    
 H    5.100100       1.774700     -0.7741000    


%chk=000127458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127458

0 1
O -1.400837 -0.026683 -2.083048
O -3.620559 0.971430 1.904872
N -2.724071 0.581020 -0.240666
N 4.992225 0.874095 -0.055117
C -0.641795 -0.509155 0.285646
C -1.314403 0.044704 1.584042
C -0.770421 -2.086551 0.275065
C -1.558940 0.037147 -0.837216
C 0.833730 -0.093602 0.154839
C -2.683738 0.574160 1.170454
C -0.214097 -2.789357 -0.977865
C 1.434945 0.300653 -1.068017
C 1.670296 -0.168888 1.301091
C -3.864588 1.089314 -1.010839
C 2.803918 0.625107 -1.140008
C 3.040324 0.145517 1.243069
C 3.634692 0.554592 0.014078
H -0.737636 0.884000 2.011936
H -1.433235 -0.714309 2.375770
H -1.839191 -2.351456 0.414225
H -0.231153 -2.449652 1.172309
H -0.718359 -2.440085 -1.894761
H 0.866299 -2.594885 -1.092837
H -0.360033 -3.881789 -0.893796
H 0.826412 0.346317 -1.975928
H 1.249870 -0.480042 2.265935
H -3.633588 0.955866 -2.079476
H -4.028724 2.157566 -0.790817
H -4.780430 0.534446 -0.746515
H 3.236287 0.932969 -2.100349
H 3.655061 0.079398 2.149448
H 5.583085 0.822759 0.769086
H 5.413155 1.167493 -0.931411


