%chk=000128618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128618

0 1
 O    3.071500      0.1125000     -9.7000003E-03
 O    2.067000       2.183700     -5.2000000E-03
 N   -2.756300      -1.824500     -2.6000000E-03
 N   0.8685000      -1.142100     -8.8000000E-03
 C   -1.631000      0.1015000     -1.9999999E-04
 C   -3.032700      0.3891000      3.1000001E-03
 C   -1.492600      -1.286100     -4.0000002E-03
 C   -3.708400     -0.8319000      1.7000000E-03
 C  -0.4690000      0.8888000     -5.0000002E-04
 C   -3.790200       1.579100      6.8000001E-03
 C    5.427700     -0.3597000     -1.3900000E-02
 C   0.7387000      0.2037000     -4.6999999E-03
 C   -5.105000     -0.9241000      4.3000001E-03
 C  -0.2491000      -1.904600     -8.3999997E-03
 C    6.835700      0.2284000      8.9999998E-04
 C    4.363800      0.7287000     -1.0700000E-02
 C   -5.187600       1.502900      9.3000000E-03
 C   -5.833100      0.2687000      8.3999997E-03
 C    1.987500      0.9477000     -6.8999999E-03
 C    7.894500     -0.8619000      4.1299999E-02
 H   -2.959500      -2.814500     -4.4999998E-03
 H  -0.5256000       1.971600      2.0999999E-03
 H   -3.301400       2.549200      7.7000000E-03
 H    5.291700     -0.9999000     -0.8946000    
 H    5.279200      -1.012100      0.8558000    
 H   -5.608600      -1.885000      3.4000000E-03
 H  -0.1164000      -2.978500     -1.1500000E-02
 H    6.958900      0.8790000      0.8746000    
 H    6.989500      0.8485000     -0.8898000    
 H    4.464100       1.353700      0.8841000    
 H    4.462600       1.356900     -0.9035000    
 H   -5.774000       2.417700      1.2200000E-02
 H   -6.919500      0.2313000      1.0500000E-02
 H    7.788700      -1.478700      0.9394000    
 H    7.819400      -1.514000     -0.8347000    
 H    8.895100     -0.4184000      4.9800001E-02


%chk=000128618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128618

0 1
O 3.141902 -0.014837 -0.006950
O 2.052836 2.042659 -0.009376
N -2.938807 -1.903467 -0.008985
N 0.779932 -1.371963 -0.015775
C -1.694690 0.036063 -0.003455
C -3.106310 0.400148 0.002104
C -1.633711 -1.403040 -0.010098
C -3.851350 -0.829991 -0.001534
C -0.480293 0.748297 -0.003693
C -3.798188 1.633806 0.009942
C 5.548947 -0.330069 0.009637
C 0.726909 0.004221 -0.009819
C -5.261442 -0.850173 0.002331
C -0.384346 -2.066208 -0.016158
C 6.953431 0.318990 0.004963
C 4.441507 0.722337 -0.006529
C -5.208151 1.622520 0.013935
C -5.928285 0.393848 0.010119
C 2.008131 0.781931 -0.010206
C 8.086766 -0.728356 0.030444
H -3.191851 -2.889172 -0.012806
H -0.424464 1.840518 0.000536
H -3.249121 2.581456 0.012935
H 5.435819 -0.990861 -0.870880
H 5.431143 -0.967869 0.906371
H -5.824567 -1.789437 -0.000529
H -0.303948 -3.159674 -0.021364
H 7.052545 0.992360 0.880807
H 7.061739 0.959231 -0.894268
H 4.472344 1.380855 0.882098
H 4.481984 1.363826 -0.907199
H -5.760829 2.567666 0.020095
H -7.023653 0.414489 0.013333
H 8.022611 -1.360035 0.936256
H 8.028361 -1.397293 -0.848650
H 9.081200 -0.246078 0.023565


