%chk=000082749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082749

0 1
 N  -0.1539000      -1.380200      0.5750000    
 C   -1.466500       1.024700     -4.5899998E-02
 C   -2.157500     -0.2055000     -0.1251000    
 C  -0.1059000       1.026500      0.3041000    
 C   -2.160400       2.326000     -0.3907000    
 C   0.7043000       2.289400      0.4164000    
 C   -3.620600     -0.2594000     -0.5005000    
 C   -1.411100       3.572500      7.9300001E-02
 C   -1.460100      -1.373600      0.2168000    
 C   6.1500002E-02   3.478700     -0.2908000    
 C   -4.123100      -1.658700     -0.8526000    
 C   0.4837000     -0.1931000      0.6112000    
 C   -2.111200      -2.730400      0.1520000    
 C   -3.634100      -2.672600      0.1703000    
 C    1.923900     -0.2742000       1.004400    
 C    2.890900     -0.4743000     -0.1749000    
 C    4.349300     -0.6216000      0.2697000    
 C    5.273400     -0.8442000     -0.9282000    
 C    6.717600      -1.029800     -0.4906000    
 H   -2.276700       2.368700      -1.481000    
 H   -3.161400       2.350400      5.5000000E-02
 H   0.8217000       2.530500       1.480500    
 H    1.702600       2.165200     -1.3900000E-02
 H   -4.201300      0.1221000      0.3488000    
 H   -3.814600      0.3932000      -1.359500    
 H   -1.859600       4.463500     -0.3741000    
 H   -1.511200       3.680200       1.166900    
 H   0.5825000       4.401100     -1.0700000E-02
 H   0.1618000       3.368800      -1.378100    
 H   -5.218100      -1.657500     -0.8930000    
 H   -3.765700      -1.942200      -1.850800    
 H   -1.775400      -3.219800     -0.7708000    
 H   -1.764100      -3.344800      0.9911000    
 H   -4.044300      -3.663900     -5.2299999E-02
 H   -3.989300      -2.391900       1.169800    
 H    2.227300      0.5905000       1.605500    
 H    2.038500      -1.129300       1.685700    
 H    2.806900      0.3642000     -0.8761000    
 H    2.592800      -1.371400     -0.7333000    
 H    4.659300      0.2785000      0.8140000    
 H    4.435700      -1.466300      0.9637000    
 H    5.210000      1.0900000E-02  -1.611100    
 H    4.952100      -1.730800      -1.487300    
 H    6.819800      -1.899000      0.1669000    
 H    7.360700      -1.185800      -1.362300    
 H    7.081000     -0.1478000      4.6399999E-02


%chk=000082749-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082749

0 1
N -0.140319 -1.345510 0.595588
C -1.490597 1.063417 -0.027398
C -2.171484 -0.188741 -0.115295
C -0.116238 1.088325 0.339410
C -2.247546 2.351961 -0.342305
C 0.668675 2.396694 0.416124
C -3.640848 -0.252104 -0.526613
C -1.513570 3.632305 0.110041
C -1.453477 -1.369327 0.212107
C -0.030115 3.570008 -0.304094
C -4.113589 -1.674016 -0.906636
C 0.517909 -0.151562 0.653874
C -2.091222 -2.750787 0.158415
C -3.633541 -2.705177 0.136916
C 1.981289 -0.246447 1.056929
C 2.918314 -0.502341 -0.156682
C 4.395940 -0.677610 0.257570
C 5.338601 -0.935803 -0.940044
C 6.811175 -1.129866 -0.517529
H -2.424808 2.403178 -1.438361
H -3.253470 2.313550 0.118822
H 0.818969 2.668917 1.482574
H 1.681276 2.249586 -0.004187
H -4.267041 0.124801 0.310974
H -3.826140 0.439519 -1.371708
H -2.009954 4.520041 -0.325361
H -1.578160 3.732180 1.212352
H 0.487014 4.518400 -0.064742
H 0.036686 3.430961 -1.402187
H -5.216607 -1.686221 -0.996231
H -3.704944 -1.949468 -1.899809
H -1.722247 -3.269585 -0.750692
H -1.712992 -3.337339 1.015168
H -4.038182 -3.709460 -0.090574
H -4.017394 -2.420801 1.137580
H 2.310362 0.665399 1.590349
H 2.078682 -1.096267 1.757285
H 2.833735 0.333741 -0.882025
H 2.565758 -1.411778 -0.681738
H 4.738228 0.226667 0.804177
H 4.475089 -1.521946 0.973955
H 5.265602 -0.087701 -1.651573
H 4.989074 -1.833064 -1.490321
H 6.916633 -1.994418 0.164821
H 7.464119 -1.308145 -1.391905
H 7.192555 -0.236666 0.012883


