%chk=000128308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128308

0 1
 O  -0.3328000     -0.4226000       1.751400    
 N    3.077100       1.347200      3.2400001E-02
 N  -0.4498000       1.744200     -0.4881000    
 C   -1.176800      0.4743000     -0.3528000    
 C    3.368600       1.033000       1.438200    
 C    4.303200       1.344300     -0.7778000    
 C    2.397300       2.637900     -7.3100001E-02
 C    4.035800     -0.3370000       1.570700    
 C    5.001100     -1.5300000E-02 -0.7176000    
 C    5.298300     -0.4231000      0.7209000    
 C   -2.517600      0.7266000      0.3730000    
 C    1.631300       2.724600      -1.394400    
 C   0.5546000       1.646000      -1.532300    
 C   -3.605100       1.393600     -0.4827000    
 C  -0.2590000     -0.5689000      0.3293000    
 C   -4.894000       1.701700      0.3049000    
 C  -0.6306000      -2.004100      2.3300000E-02
 C   -4.649500       2.647000       1.481900    
 C   -5.942400       2.305900     -0.6328000    
 C   -1.533900      -2.680600      0.8433000    
 C  -7.0200004E-02  -2.650200      -1.078600    
 C   -1.876600      -4.003000      0.5616000    
 C  -0.4130000      -3.972700      -1.360500    
 C   -1.316300      -4.648900     -0.5403000    
 H   -1.424700      0.1148000      -1.361900    
 H    2.437500       1.011100       2.017400    
 H    4.012600       1.802600       1.883900    
 H    4.998000       2.124300     -0.4389000    
 H    4.080200       1.545200      -1.830600    
 H    1.681300       2.766700      0.7486000    
 H    3.103800       3.473900      9.3000000E-03
 H    4.283200     -0.5284000       2.621000    
 H    3.331700      -1.119500       1.260000    
 H    4.365100     -0.7755000      -1.189100    
 H    5.934300      2.1400001E-02  -1.291000    
 H    6.066400      0.2395000       1.138100    
 H    5.701400      -1.441400      0.7478000    
 H   -2.929100     -0.2244000      0.7280000    
 H   -2.318000       1.325400       1.268900    
 H    2.306100       2.677000      -2.255900    
 H    1.154600       3.712400      -1.449800    
 H    1.047200      0.6711000      -1.593300    
 H   6.0199998E-02   1.779000      -2.503500    
 H   -3.844400      0.7321000      -1.324900    
 H   -3.221000       2.324700     -0.9156000    
 H   0.7989000     -0.4561000      7.8900002E-02
 H   -1.083900       2.511900     -0.7014000    
 H   -5.297700      0.7605000      0.6993000    
 H   -4.131500       3.556800       1.160400    
 H   -4.053600       2.169600       2.265000    
 H   -5.597500       2.944800       1.943300    
 H   -5.600400       3.259200      -1.050300    
 H   -6.156100       1.627700      -1.465800    
 H   -6.882900       2.486300     -0.1015000    
 H  -4.8700001E-02  0.4833000       1.962400    
 H   -1.993100      -2.206000       1.705700    
 H   0.6331000      -2.132600      -1.725600    
 H   -2.580900      -4.529500       1.199000    
 H   2.2800000E-02  -4.475700      -2.218800    
 H   -1.583500      -5.678300     -0.7601000    


%chk=000128308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128308

0 1
O 0.093705 -0.013523 1.616523
N 3.370918 1.405868 0.069776
N -0.378025 1.769051 -0.293070
C -1.078686 0.463031 -0.475399
C 3.679246 0.519809 1.225893
C 4.595860 1.772037 -0.684655
C 2.558255 2.587544 0.449677
C 4.384400 -0.770019 0.759332
C 5.325545 0.517458 -1.208220
C 5.662622 -0.441430 -0.044527
C -2.526664 0.547498 0.056288
C 1.700384 3.121252 -0.722253
C 0.718304 2.059918 -1.257643
C -3.420247 1.551655 -0.711045
C -0.203595 -0.595988 0.309079
C -4.934744 1.416491 -0.394359
C -0.867240 -1.953513 0.456249
C -5.244789 1.686012 1.097896
C -5.764643 2.356760 -1.299983
C -1.385918 -2.385858 1.700593
C -0.980022 -2.805389 -0.672391
C -2.020394 -3.644112 1.810836
C -1.620056 -4.060286 -0.564539
C -2.144586 -4.484088 0.679475
H -1.110341 0.165364 -1.548988
H 2.727230 0.267722 1.728576
H 4.336697 1.042938 1.970957
H 5.300439 2.361320 -0.036928
H 4.313553 2.423788 -1.532317
H 1.879715 2.283920 1.267559
H 3.194415 3.417120 0.850296
H 4.624906 -1.394119 1.641293
H 3.684221 -1.347639 0.124441
H 4.668854 0.000561 -1.935119
H 6.245322 0.823051 -1.743974
H 6.403086 0.043356 0.625660
H 6.131459 -1.367850 -0.427550
H -2.978681 -0.459034 -0.024873
H -2.497118 0.792482 1.135808
H 2.353228 3.447760 -1.555617
H 1.148738 4.022640 -0.383980
H 1.295877 1.130755 -1.411944
H 0.313019 2.375498 -2.246168
H -3.272724 1.404087 -1.802092
H -3.120700 2.600425 -0.492651
H 0.745111 -0.721051 -0.261089
H -1.041286 2.551875 -0.230539
H -5.229524 0.369227 -0.621287
H -4.926137 2.707538 1.384928
H -4.730073 0.969268 1.762024
H -6.330265 1.605558 1.293721
H -5.510656 3.416598 -1.102152
H -5.574333 2.157224 -2.371390
H -6.848340 2.232412 -1.117772
H 0.132698 0.973108 1.383091
H -1.267032 -1.728711 2.567094
H -0.559881 -2.491425 -1.636970
H -2.413113 -3.972176 2.780440
H -1.701929 -4.709539 -1.444018
H -2.634963 -5.460430 0.766894


