%chk=000078898.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078898

0 1
 O    4.814100       1.103800       1.534200    
 N    2.885300      0.2286000     -0.3672000    
 N  -0.3384000      -1.111500      -1.219000    
 C    2.437100     -2.7700000E-02  -1.734400    
 C    4.069800     -0.5796000     -4.6200000E-02
 C    3.181500       1.654900     -0.1740000    
 C    1.978200      -1.470100      -1.939500    
 C    4.525400     -0.2862000       1.380300    
 C    3.659100       1.896000       1.255200    
 C   0.8309000      -1.905400      -1.023200    
 C   -1.377100      -1.029900     -0.2593000    
 C   -2.294800      3.3300001E-02 -0.2575000    
 C   -3.313700      6.6200003E-02  0.7242000    
 C   -1.462500      -2.045700      0.6933000    
 C   -2.223800       1.064400      -1.208500    
 C   -3.385000     -0.9649000       1.675000    
 C   -2.464700      -2.013500       1.658500    
 C   -4.231600       1.129100      0.7259000    
 C   -3.144100       2.112900      -1.191600    
 C   -4.146000       2.145300     -0.2262000    
 H    3.233200      0.1988000      -2.456100    
 H    1.603000      0.6424000      -1.977800    
 H    4.887000     -0.3556000     -0.7441000    
 H    3.859100      -1.651600     -9.7300000E-02
 H    2.284300       2.258200     -0.3539000    
 H    3.958200       1.980900     -0.8781000    
 H    2.811700      -2.174300      -1.844400    
 H    1.641900      -1.563800      -2.981200    
 H    3.770100     -0.5871000       2.116700    
 H    5.442400     -0.8421000       1.600800    
 H    3.937600       2.946900       1.382900    
 H    2.874300       1.669600       1.987500    
 H    1.181100      -1.853900      1.4800000E-02
 H   0.6011000      -2.955900      -1.238200    
 H  -0.4261000     -0.5789000      -2.074500    
 H  -0.7796000      -2.890100      0.7091000    
 H   -1.459200       1.098700      -1.978800    
 H   -4.160500     -0.9606000       2.438000    
 H   -2.533700      -2.806500       2.397500    
 H   -5.022900       1.174900       1.471300    
 H   -3.077200       2.905800      -1.931000    
 H   -4.861600       2.962100     -0.2133000    


%chk=000078898-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078898

0 1
O 5.475213 0.635244 1.566726
N 3.295844 0.092455 -0.279496
N -0.414761 -0.766726 -1.019714
C 2.515994 0.145457 -1.540511
C 4.625584 -0.549865 -0.443158
C 3.447831 1.423031 0.366850
C 1.862027 -1.214225 -1.881268
C 5.320072 -0.678627 0.922384
C 4.152988 1.266585 1.723581
C 0.774663 -1.613917 -0.863885
C -1.462878 -0.719618 -0.097900
C -2.623318 0.121069 -0.368678
C -3.709251 0.150576 0.591305
C -1.419274 -1.459079 1.104256
C -2.736240 0.927633 -1.548371
C -3.621121 -0.616241 1.800141
C -2.488970 -1.395641 2.042472
C -4.859700 0.961454 0.311309
C -3.870321 1.709271 -1.794128
C -4.947648 1.722399 -0.856149
H 3.146473 0.485390 -2.400470
H 1.713646 0.895905 -1.408160
H 5.278310 0.044459 -1.132473
H 4.500874 -1.557911 -0.880512
H 2.444224 1.861004 0.523040
H 4.039985 2.126789 -0.271120
H 2.630057 -2.009742 -1.911085
H 1.430691 -1.165863 -2.903589
H 4.724414 -1.350118 1.578249
H 6.342789 -1.076242 0.813764
H 4.347931 2.247282 2.187941
H 3.522032 0.650255 2.399727
H 1.195452 -1.473088 0.149725
H 0.518464 -2.691610 -0.977048
H -0.601010 -0.431682 -1.964726
H -0.563617 -2.104615 1.320266
H -1.918594 0.965874 -2.278775
H -4.447114 -0.581771 2.518904
H -2.415563 -1.985374 2.963517
H -5.677711 0.973205 1.041864
H -3.930022 2.319672 -2.701954
H -5.834544 2.334846 -1.052954


