%chk=000047021.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047021

1 1
 O   3.3000000E-02 -0.9505000     -0.9888000    
 O   0.8373000     -7.5400002E-02  0.9983000    
 N   -4.227500       1.184900     -0.1017000    
 N    2.258200     -0.4506000     -0.8246000    
 C   -3.286400     -1.5300000E-02  2.6799999E-02
 C   -4.574400       1.688300       1.296500    
 C   -5.484200      0.7458000     -0.8481000    
 C   -3.591900       2.336500     -0.8779000    
 C   -2.066000      9.7999997E-02 -0.5503000    
 C   -3.752900      -1.089800      0.7072000    
 C   -1.208400     -0.9958000     -0.4329000    
 C   -2.895400      -2.183500      0.8245000    
 C   -1.623100      -2.136500      0.2547000    
 C    1.052100     -0.4462000     -0.1501000    
 C    3.521500     -2.9700000E-02 -0.3509000    
 C    4.623100     -0.1134000      -1.187900    
 C    3.634600      0.4592000      0.9410000    
 C    5.869900      0.3024000     -0.7208000    
 C    4.881500      0.8750000       1.408000    
 C    5.999100      0.7966000      0.5769000    
 H   -3.645000       1.918200       1.827300    
 H   -5.180000       2.594300       1.190500    
 H   -5.156500      0.9335000       1.832200    
 H   -6.036100      1.4300000E-02 -0.2517000    
 H   -6.113800       1.628300      -1.001300    
 H   -5.188800      0.3227000      -1.813700    
 H   -3.374800       2.015200      -1.902000    
 H   -4.323300       3.151700     -0.9222000    
 H   -2.707600       2.697800     -0.3427000    
 H   -1.687800      0.9514000      -1.095600    
 H   -4.735900      -1.151400       1.157500    
 H   -3.218000      -3.072000       1.359500    
 H  -0.9603000      -2.992300      0.3495000    
 H    2.236700     -0.7994000      -1.779800    
 H    4.533600     -0.4966000      -2.200600    
 H    2.817200      0.5502000       1.641400    
 H    6.740300      0.2414000      -1.367700    
 H    4.983600       1.260200       2.418400    
 H    6.969900       1.120400      0.9406000    


%chk=000047021-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047021

1 1
O 0.155975 -1.382294 -0.140491
O 0.679955 0.951843 0.020497
N -4.166334 1.187610 0.173506
N 2.315405 -0.755205 -0.164226
C -3.361026 -0.113814 0.058798
C -5.007650 1.155070 1.457650
C -5.086318 1.327830 -1.047977
C -3.277943 2.432118 0.231974
C -1.956996 -0.056899 0.017049
C -4.070046 -1.332670 -0.001757
C -1.241156 -1.278541 -0.087701
C -3.329919 -2.532396 -0.106814
C -1.923327 -2.515469 -0.149867
C 1.055847 -0.239685 -0.083015
C 3.558814 -0.042847 -0.152517
C 4.739193 -0.821548 -0.263363
C 3.636762 1.367457 -0.035843
C 5.998975 -0.190131 -0.257760
C 4.907277 1.983145 -0.031992
C 6.089511 1.216515 -0.141892
H -4.329188 1.043108 2.315958
H -5.575119 2.095656 1.534825
H -5.698595 0.302416 1.421507
H -5.776496 0.474586 -1.086167
H -5.653867 2.267328 -0.959447
H -4.463212 1.338143 -1.954144
H -2.678787 2.502712 -0.686854
H -3.934765 3.311274 0.315223
H -2.620236 2.376838 1.110940
H -1.381256 0.866460 0.060675
H -5.162669 -1.384100 0.029806
H -3.860608 -3.487496 -0.155188
H -1.345340 -3.439694 -0.230726
H 2.368449 -1.774321 -0.243896
H 4.675702 -1.913466 -0.353304
H 2.727098 1.964942 0.049185
H 6.906720 -0.795912 -0.343612
H 4.970590 3.072744 0.057948
H 7.068079 1.706593 -0.137489


