%chk=000041779.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041779

0 1
 N   -3.673800      0.3225000     -0.5935000    
 N   -1.309700       2.022900     -0.3222000    
 N   -2.326500      -2.295900     -0.4338000    
 N    2.326700       2.295900      0.4334000    
 N    1.309700      -2.023200      0.3230000    
 N    3.674000     -0.3224000      0.5930000    
 C   -3.764700       1.757800     -0.3111000    
 C   -3.781500     -0.5064000      0.6086000    
 C   -2.537400       2.334100      0.4097000    
 C   -3.575000      -1.990900      0.2727000    
 C  -0.1180000       2.419100      0.4265000    
 C   -1.131400      -2.020800      0.3660000    
 C    1.131300       2.020900     -0.3657000    
 C   0.1181000      -2.419100     -0.4258000    
 C    3.574800       1.990900     -0.2736000    
 C    2.537300      -2.334300     -0.4092000    
 C    3.781100      0.5063000     -0.6093000    
 C    3.764900      -1.757600      0.3110000    
 H   -4.673000       1.978900      0.2622000    
 H   -3.873300       2.276700      -1.271800    
 H   -4.775900     -0.3827000       1.054600    
 H   -3.051100     -0.2077000       1.366800    
 H   -2.489500       1.940800       1.431600    
 H   -2.654000       3.421600      0.4848000    
 H   -4.404300      -2.321000     -0.3654000    
 H   -3.639700      -2.586100       1.191800    
 H  -0.1078000       1.918400       1.403000    
 H  -0.1216000       3.502300      0.5975000    
 H   -1.165900      -2.582500       1.307500    
 H   -1.073400     -0.9554000      0.6103000    
 H    1.073300      0.9556000     -0.6101000    
 H    1.165300       2.582800      -1.307300    
 H   0.1216000      -3.502300     -0.5969000    
 H   0.1082000      -1.918400      -1.402300    
 H    4.404400       2.321100      0.3640000    
 H    3.639100       2.585900      -1.192900    
 H    2.489000      -1.941200      -1.431100    
 H    2.654000      -3.421800     -0.4841000    
 H    3.050300      0.2075000      -1.367000    
 H    4.775200      0.3824000      -1.055800    
 H    3.873900      -2.276300       1.271900    
 H    4.673000      -1.978700     -0.2627000    
 H   -4.416600      6.1200000E-02  -1.241800    
 H   -1.274800       1.023400     -0.5191000    
 H   -2.331000      -3.280400     -0.7008000    
 H    2.331500       3.280500      0.7005000    
 H    1.275000      -1.023800      0.5201000    
 H    4.417000     -6.0800001E-02   1.241000    


%chk=000041779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041779

0 1
N -3.844211 0.293967 -0.493431
N -1.347750 2.038331 -0.308059
N -2.367751 -2.171745 -0.383355
N 2.367865 2.171829 0.382566
N 1.347620 -2.038185 0.308303
N 3.843970 -0.293675 0.493670
C -3.824699 1.759550 -0.363180
C -3.861313 -0.511411 0.734433
C -2.606791 2.362389 0.393871
C -3.635316 -1.994722 0.369582
C -0.114942 2.327255 0.449965
C -1.128979 -2.081136 0.424548
C 1.128838 2.080993 -0.424929
C 0.115037 -2.327211 -0.450055
C 3.635235 1.994527 -0.370689
C 2.606843 -2.362262 -0.393267
C 3.861427 0.511044 -0.734651
C 3.824450 -1.759291 0.364114
H -4.748506 2.084946 0.156291
H -3.848887 2.191219 -1.381444
H -4.844306 -0.414896 1.239524
H -3.092807 -0.201983 1.486042
H -2.609783 1.998428 1.453371
H -2.726263 3.463693 0.436691
H -4.464110 -2.323187 -0.284217
H -3.668028 -2.603263 1.305424
H -0.017200 1.723884 1.388162
H -0.144155 3.392150 0.760432
H -1.113726 -2.792033 1.284303
H -1.067513 -1.062312 0.858320
H 1.067241 1.062077 -0.858454
H 1.113333 2.791704 -1.284833
H 0.144421 -3.392079 -0.760604
H 0.017469 -1.723764 -1.388223
H 4.464145 2.323459 0.282716
H 3.667674 2.602522 -1.306899
H 2.610148 -1.998461 -1.452830
H 2.726390 -3.463564 -0.435866
H 3.093109 0.201177 -1.486262
H 4.844540 0.414327 -1.239478
H 3.848176 -2.190518 1.382584
H 4.748449 -2.084944 -0.154850
H -3.179848 -0.101925 -1.172868
H -1.359968 1.059877 -0.636107
H -2.381992 -3.030722 -0.948862
H 2.382292 3.031010 0.947756
H 1.359742 -1.059724 0.636342
H 3.179230 0.102453 1.172603


