%chk=000028955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028955

0 1
 O    2.925400      -2.359100     -9.9699996E-02
 N   -2.969600     -0.2769000     -0.2950000    
 N   0.7032000     -0.7753000     -5.9900001E-02
 C   -3.103800      0.8355000      0.6559000    
 C   -4.109000      -1.200000     -0.1970000    
 C   -4.390700       1.623300      0.4059000    
 C   -5.428700     -0.4790000     -0.4747000    
 C   -5.614500      0.7155000      0.4542000    
 C   -1.712300     -0.9907000     -7.3399998E-02
 C  -0.5280000     -5.7799999E-02 -0.2902000    
 C    1.945600     -0.2014000     -0.1493000    
 C    3.069900      -1.154700      0.1134000    
 C    2.109100       1.094500     -0.4636000    
 C    4.324900     -0.6941000      0.7558000    
 C    3.317900       1.839900     -0.6974000    
 C    4.922400      0.4940000      0.6322000    
 C    4.538200       1.586100     -0.2173000    
 H   -2.306000       1.573900      0.5463000    
 H   -3.085300      0.4739000       1.692300    
 H   -4.147900      -1.668700      0.7953000    
 H   -3.999800      -2.005300     -0.9335000    
 H   -4.338400       2.113400     -0.5748000    
 H   -4.491500       2.417200       1.154800    
 H   -6.264800      -1.176500     -0.3512000    
 H   -5.448400     -0.1375000      -1.517500    
 H   -5.766800      0.3607000       1.480900    
 H   -6.511300       1.277200      0.1705000    
 H   -1.674400      -1.425400      0.9348000    
 H   -1.631600      -1.826100     -0.7814000    
 H  -0.5541000      0.3410000      -1.311800    
 H  -0.5427000      0.7740000      0.4177000    
 H   0.6651000      -1.763200      0.1714000    
 H    1.235600       1.718100     -0.6474000    
 H    4.813200      -1.447500       1.370900    
 H    3.192300       2.726900      -1.315800    
 H    5.856800      0.6473000       1.168700    
 H    5.341400       2.274900     -0.4706000    


%chk=000028955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028955

0 1
O 2.574773 -2.165670 1.070488
N -2.983436 -0.196234 -0.069032
N 0.758280 -0.589731 0.235574
C -3.393444 0.773271 0.981953
C -4.072935 -1.165577 -0.361313
C -4.646072 1.562578 0.551283
C -5.347274 -0.437296 -0.835339
C -5.807880 0.602111 0.212004
C -1.693051 -0.853877 0.227795
C -0.500635 0.059029 -0.131134
C 2.014835 -0.082181 0.061435
C 3.043890 -1.060418 0.576302
C 2.225350 1.187090 -0.525731
C 4.465824 -0.815715 0.539318
C 3.436618 1.876407 -0.783089
C 5.203973 0.276051 0.067608
C 4.763469 1.491257 -0.527846
H -2.558673 1.472101 1.173382
H -3.606813 0.241730 1.947872
H -4.320754 -1.782564 0.543185
H -3.719072 -1.858765 -1.147157
H -4.395639 2.171112 -0.339035
H -4.937474 2.257155 1.362501
H -6.144379 -1.181332 -1.026290
H -5.127660 0.074035 -1.792527
H -6.132180 0.076637 1.134384
H -6.682526 1.167270 -0.161344
H -1.610174 -1.164491 1.301098
H -1.622471 -1.775835 -0.380167
H -0.533898 0.274575 -1.217885
H -0.592202 1.031648 0.395153
H 0.781511 -1.527147 0.680243
H 1.317227 1.723053 -0.830595
H 5.034762 -1.653269 0.964712
H 3.309776 2.861566 -1.254281
H 6.293651 0.176451 0.175052
H 5.546103 2.203076 -0.819079


