%chk=000042981.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042981

0 1
 O   -4.450300      -2.187600      0.4232000    
 N   -4.367600      0.1005000      3.5599999E-02
 C   -3.131400      0.2838000      0.7846000    
 C   -1.891800      0.1143000     -8.7600000E-02
 C   -4.928800       1.294000     -0.6001000    
 C  -0.5898000      0.2840000      0.7008000    
 C   -6.203600       1.771100      8.7200001E-02
 C   0.6330000      4.8400000E-02 -0.1900000    
 C   -7.444700      0.9840000     -0.3287000    
 C    1.933600      0.2475000      0.5911000    
 C   -7.381800     -0.5089000     -1.5300000E-02
 C    3.191400      5.4099999E-02 -0.2609000    
 C   -6.279300      -1.243400     -0.7703000    
 C    4.492600      0.1807000      0.5363000    
 C   -4.947100      -1.162800     -5.0700001E-02
 C    5.710500     -9.2900001E-02 -0.3505000    
 C    7.044700      4.0899999E-02  0.3892000    
 C    8.263900     -0.1598000     -0.5135000    
 C    9.565700      5.6499999E-02  0.2594000    
 C    10.78100     -0.1040000     -0.6399000    
 H   -3.101400     -0.4574000       1.592500    
 H   -3.146700       1.269600       1.264000    
 H   -1.918300      0.8414000     -0.9089000    
 H   -1.908800     -0.8788000     -0.5540000    
 H   -5.111600       1.078000      -1.658400    
 H   -4.179100       2.093300     -0.5694000    
 H  -0.5506000       1.294000       1.126400    
 H  -0.5733000     -0.4226000       1.539500    
 H   -6.086800       1.737300       1.177100    
 H   -6.371100       2.820900     -0.1828000    
 H   0.6084000      0.7412000      -1.039800    
 H   0.6026000     -0.9684000     -0.5997000    
 H   -8.314200       1.411700      0.1853000    
 H   -7.622200       1.123600      -1.402500    
 H    1.948900       1.255700       1.023400    
 H    1.958000     -0.4573000       1.431600    
 H   -7.272200     -0.6556000       1.066200    
 H   -8.345900     -0.9491000     -0.2984000    
 H    3.152300     -0.9376000     -0.7289000    
 H    3.190500      0.7885000      -1.075800    
 H   -6.545300      -2.306700     -0.8273000    
 H   -6.177800     -0.8965000      -1.803400    
 H    4.563700       1.187400      0.9646000    
 H    4.483900     -0.5283000       1.372700    
 H    5.635600      -1.103100     -0.7720000    
 H    5.700700      0.6048000      -1.197200    
 H    7.096800       1.036900      0.8467000    
 H    7.075700     -0.6860000       1.210200    
 H    8.245300      -1.171400     -0.9364000    
 H    8.215500      0.5432000      -1.353900    
 H    9.630900     -0.6605000       1.086100    
 H    9.576400       1.060700      0.6990000    
 H    11.70010      5.3100001E-02 -6.6799998E-02
 H    10.81820      -1.108600      -1.073100    
 H    10.76250      0.6229000      -1.458200    


%chk=000042981-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042981

0 1
O -4.638613 -2.236189 0.532203
N -4.460894 0.038227 0.074808
C -3.170158 0.103159 0.799718
C -1.939063 -0.019371 -0.128214
C -4.965673 1.277802 -0.559811
C -0.612171 0.120301 0.650207
C -6.236360 1.861963 0.105793
C 0.639531 -0.036430 -0.242555
C -7.542022 1.146332 -0.309813
C 1.962973 0.152204 0.532334
C -7.587504 -0.368411 0.001976
C 3.223340 -0.049722 -0.338482
C -6.484088 -1.207542 -0.703508
C 4.540525 0.176981 0.437092
C -5.124637 -1.181964 0.005179
C 5.807825 -0.061994 -0.413995
C 7.120287 0.184249 0.363942
C 8.392016 -0.075640 -0.474383
C 9.701765 0.176406 0.307078
C 10.968932 -0.090531 -0.533692
H -3.162241 -0.727670 1.526518
H -3.129675 1.059393 1.359302
H -1.985036 0.756716 -0.920498
H -1.979047 -1.002578 -0.635062
H -5.161222 1.106731 -1.638179
H -4.148045 2.017936 -0.501512
H -0.580131 1.110779 1.152344
H -0.580136 -0.639752 1.458268
H -6.108208 1.826470 1.205606
H -6.315406 2.931525 -0.175441
H 0.593370 0.697835 -1.074205
H 0.627896 -1.041100 -0.713693
H -8.399478 1.642076 0.186693
H -7.688854 1.286396 -1.401849
H 1.984242 1.169587 0.976902
H 1.991703 -0.558594 1.384819
H -7.525337 -0.535142 1.095453
H -8.573256 -0.757869 -0.319120
H 3.216809 -1.077265 -0.758700
H 3.185656 0.640964 -1.207139
H -6.777307 -2.270199 -0.724276
H -6.383553 -0.871363 -1.756022
H 4.556507 1.213586 0.834871
H 4.563554 -0.494014 1.321597
H 5.799497 -1.103560 -0.798423
H 5.781465 0.597997 -1.306594
H 7.134199 1.230484 0.735798
H 7.137954 -0.464608 1.264976
H 8.382075 -1.123372 -0.841890
H 8.376035 0.569648 -1.377971
H 9.714699 -0.466252 1.211302
H 9.711907 1.224148 0.671519
H 11.889954 0.093510 0.049805
H 10.996308 -1.138887 -0.886778
H 10.997992 0.563313 -1.425994


