%chk=000045801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045801

1 1
 O    2.109300       1.806400      0.4357000    
 N   -2.446900      0.2424000     -1.7200001E-02
 C  -0.9434000     -3.9700001E-02  3.3100002E-02
 C   -3.128300     -0.5261000       1.111400    
 C   -2.984000     -0.1987000      -1.375900    
 C   -2.762300       1.726200      0.1594000    
 C  -0.5568000      -1.330500     -0.1056000    
 C  -0.1255000       1.025200      0.2124000    
 C   0.8134000      -1.587500     -5.9599999E-02
 C    1.714200     -0.5381000      0.1225000    
 C    1.244700      0.7682000      0.2586000    
 C    1.291100      -2.995200     -0.2083000    
 C    3.184000     -0.8087000      0.1726000    
 C    2.590500       2.456100     -0.7391000    
 H   -2.661900     -0.2426000       2.060500    
 H   -4.188100     -0.2514000       1.117500    
 H   -3.042300      -1.602100      0.9375000    
 H   -2.896300      -1.283700      -1.478400    
 H   -4.041600      7.9400003E-02  -1.429400    
 H   -2.419900      0.3166000      -2.160000    
 H   -2.322400       2.297300     -0.6649000    
 H   -3.851300       1.842700      0.1141000    
 H   -2.422400       2.060300       1.145300    
 H   -1.249700      -2.151400     -0.2474000    
 H  -0.4276000       2.057200      0.3245000    
 H    1.707200      -3.360000      0.7362000    
 H   0.4761000      -3.671300     -0.4902000    
 H    2.048800      -3.070200     -0.9952000    
 H    3.752200      2.1299999E-02  0.6046000    
 H    3.406300      -1.676300      0.8026000    
 H    3.567700     -0.9908000     -0.8364000    
 H    1.764700       2.935400      -1.274300    
 H    3.101200       1.746400      -1.397400    
 H    3.304200       3.227000     -0.4359000    


%chk=000045801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045801

1 1
O 2.074440 1.925553 0.414798
N -2.557537 0.243487 -0.004452
C -1.041507 0.015204 -0.003428
C -3.194258 -0.536148 1.155727
C -3.152947 -0.234537 -1.336242
C -2.928606 1.715592 0.168775
C -0.564789 -1.304566 -0.158884
C -0.151339 1.088281 0.154892
C 0.825879 -1.570628 -0.125064
C 1.755113 -0.500459 0.061606
C 1.239914 0.820592 0.174287
C 1.314268 -2.999539 -0.263620
C 3.240835 -0.762210 0.183603
C 2.887223 2.412405 -0.725720
H -2.752693 -0.180417 2.098135
H -4.281659 -0.361565 1.147781
H -2.984517 -1.607126 1.034742
H -2.946302 -1.305108 -1.466053
H -4.240318 -0.060566 -1.323365
H -2.681314 0.331922 -2.152466
H -2.507354 2.301044 -0.660770
H -4.026247 1.794089 0.156998
H -2.542620 2.081343 1.130831
H -1.245023 -2.152274 -0.294233
H -0.453248 2.129794 0.278382
H 1.790381 -3.353722 0.670299
H 0.489652 -3.691793 -0.499809
H 2.073907 -3.092032 -1.060566
H 3.745300 0.080998 0.681134
H 3.437004 -1.673908 0.773091
H 3.714655 -0.914783 -0.805564
H 2.228974 2.809839 -1.520905
H 3.531503 1.615551 -1.138623
H 3.508131 3.219489 -0.312017


