%chk=000104582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104582

0 1
 O  -0.6058000      -1.655800      -1.220700    
 N   -1.871400     -2.3300000E-02 -0.1245000    
 N    1.310400      -1.651000      0.4831000    
 C   -1.924800       1.427800      0.3294000    
 C   -3.186000     -0.7182000     -0.4194000    
 C   -3.190400       2.119400     -0.2509000    
 C   -4.370200     -4.4500001E-02  0.3167000    
 C   -4.508600       1.445500      7.7399999E-02
 C   -1.931200       1.537000       1.867000    
 C  -0.7565000       2.285700     -0.2229000    
 C   -3.185800      -2.179000      0.1121000    
 C   -3.461500     -0.7507000      -1.936700    
 C  -0.6862000     -0.7391000     -0.3944000    
 C   0.5662000     -0.4146000      0.3758000    
 C    2.589600      -1.437700       1.170800    
 C   0.5304000      -2.675400       1.187800    
 C    3.380100     -0.3913000      0.4464000    
 C    4.254600     -0.7660000     -0.5692000    
 C    3.235200      0.9482000      0.7943000    
 C    4.991000      0.2082000      -1.243400    
 C    3.971400       1.922400      0.1201000    
 C    4.849500       1.552300     -0.8987000    
 H   -3.095500       2.171100      -1.343900    
 H   -3.247700       3.165100      8.0600001E-02
 H   -4.265600     -0.2113000       1.396300    
 H   -5.318100     -0.5305000      4.8700001E-02
 H   -4.954400       1.908100      0.9666000    
 H   -5.215200       1.629700     -0.7413000    
 H  -0.9814000       1.230800       2.310600    
 H   -2.106400       2.572200       2.182500    
 H   -2.702700      0.9175000       2.329200    
 H  -0.9723000       3.357700     -0.1352000    
 H   0.1708000       2.135900      0.3342000    
 H  -0.5681000       2.069200      -1.280100    
 H   -2.529500      -2.837500     -0.4632000    
 H   -2.862200      -2.215100       1.158700    
 H   -4.187600      -2.621400      5.3599998E-02
 H   -3.448500      0.2483000      -2.380500    
 H   -2.717100      -1.345100      -2.475400    
 H   -4.441100      -1.194600      -2.147800    
 H   0.3450000      6.3000000E-03   1.354900    
 H    1.072400      0.3084000     -0.2655000    
 H    3.167400      -2.370800       1.197800    
 H    2.440500      -1.138400       2.217600    
 H  -0.3384000      -3.039000      0.6352000    
 H   0.1934000      -2.326700       2.171500    
 H    1.148100      -3.567400       1.350200    
 H    4.372200      -1.809600     -0.8480000    
 H    2.568300       1.253100       1.596300    
 H    5.674400     -7.9800002E-02  -2.036900    
 H    3.863500       2.968700      0.3906000    
 H    5.423200       2.310800      -1.423200    


%chk=000104582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104582

0 1
O -0.342549 -1.301864 -1.089007
N -1.946938 0.033018 -0.032022
N 1.334485 -1.228167 1.142793
C -2.264204 1.393123 0.593454
C -3.066969 -0.754353 -0.729137
C -3.472242 2.017314 -0.172606
C -4.432103 -0.345035 -0.108393
C -4.758535 1.162893 -0.185486
C -2.597328 1.273142 2.108005
C -1.101626 2.410301 0.391357
C -2.911162 -2.276037 -0.440381
C -3.057109 -0.516629 -2.264752
C -0.641572 -0.467787 -0.176662
C 0.461535 -0.085522 0.856922
C 2.699719 -0.870549 1.558021
C 0.694650 -2.302670 1.909337
C 3.516947 -0.221939 0.438484
C 3.230961 -0.506513 -0.921245
C 4.602342 0.634090 0.751217
C 4.029106 0.048978 -1.946648
C 5.404446 1.184719 -0.274442
C 5.120197 0.892136 -1.628956
H -3.138812 2.223170 -1.207121
H -3.678833 3.001803 0.288040
H -4.444023 -0.688057 0.943944
H -5.213570 -0.928170 -0.630142
H -5.413938 1.437790 0.662080
H -5.330292 1.388177 -1.104860
H -1.759790 0.822914 2.669015
H -2.787824 2.277589 2.530995
H -3.491301 0.652569 2.282295
H -1.497292 3.431368 0.539595
H -0.277128 2.281107 1.107608
H -0.697267 2.348977 -0.634662
H -2.050846 -2.709224 -0.968633
H -2.792074 -2.451404 0.645298
H -3.829859 -2.794237 -0.772087
H -3.270752 0.534295 -2.524627
H -2.072331 -0.792463 -2.673693
H -3.828338 -1.149237 -2.743812
H -0.000219 0.320987 1.786740
H 1.086856 0.710252 0.413467
H 3.199988 -1.813671 1.858179
H 2.729543 -0.206256 2.461794
H -0.204393 -2.653787 1.372487
H 0.386591 -1.998355 2.943203
H 1.386140 -3.159468 1.997034
H 2.372711 -1.150446 -1.148841
H 4.822487 0.869268 1.801105
H 3.798021 -0.175685 -2.994497
H 6.243379 1.842725 -0.019169
H 5.738515 1.320422 -2.426387


