%chk=000020948.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020948

0 1
 N  -0.5675000      0.6383000     -0.9771000    
 N  -0.9671000      -1.907600      0.5163000    
 N    2.333300       2.213900      0.4790000    
 C  -0.1997000       2.030500      -1.192500    
 C   0.1085000     -0.3776000      -1.771000    
 C  -4.5400001E-02   2.804600      0.1152000    
 C   -1.780700      0.2929000     -0.3824000    
 C   0.9579000      -1.257000     -0.8998000    
 C    1.001600       2.227400       1.072200    
 C   -1.975600     -0.9410000      0.2857000    
 C   0.3865000      -2.003400      0.1413000    
 C   -2.876000       1.188100     -0.4341000    
 C    2.331300      -1.378900      -1.176200    
 C   -3.251700      -1.238100      0.8221000    
 C    1.220800      -2.858100      0.8882000    
 C   -4.122400      0.8773000      0.1114000    
 C   -4.313400     -0.3429000      0.7350000    
 C    3.139300      -2.228800     -0.4242000    
 C    2.582800      -2.971400      0.6087000    
 C    3.312600       1.671300       1.422500    
 C    2.724800       3.560800      5.9900001E-02
 H  -0.9192000       2.529100      -1.852500    
 H   0.7516000       2.086800      -1.735800    
 H   0.7287000      9.1399997E-02  -2.545300    
 H  -0.6110000     -0.9947000      -2.327300    
 H  -0.9989000       2.821600      0.6561000    
 H   0.1527000       3.859100     -0.1078000    
 H   0.7101000       1.209500       1.357500    
 H   0.9928000       2.822600       1.995300    
 H   -1.271900      -2.675900       1.108300    
 H   -2.797600       2.149400     -0.9356000    
 H    2.780900     -0.8114000      -1.987800    
 H   -3.419100      -2.184300       1.334800    
 H   0.8085000      -3.442100       1.709100    
 H   -4.940200       1.588000      3.8500000E-02
 H   -5.279200     -0.5971000       1.160400    
 H    4.198500      -2.312000     -0.6476000    
 H    3.205600      -3.635900       1.200100    
 H    3.036300      0.6535000       1.720400    
 H    3.400200       2.284100       2.326900    
 H    4.300700       1.601500      0.9543000    
 H    3.774300       3.568000     -0.2597000    
 H    2.619300       4.296800      0.8654000    
 H    2.163500       3.901700     -0.8151000    


%chk=000020948-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020948

0 1
N -0.572389 0.622292 -0.867138
N -1.074639 -2.017049 0.477734
N 2.434504 2.608616 0.288591
C -0.231844 2.041268 -1.101059
C 0.175770 -0.412143 -1.631568
C -0.081465 2.844578 0.211952
C -1.844645 0.262852 -0.365378
C 0.984348 -1.349821 -0.760149
C 1.156706 2.396187 1.017177
C -2.073778 -1.037718 0.209712
C 0.310448 -2.109778 0.238981
C -2.941458 1.172173 -0.404998
C 2.373250 -1.519561 -0.938728
C -3.387564 -1.380279 0.633462
C 1.052745 -3.055625 1.005304
C -4.226280 0.828222 0.061877
C -4.458839 -0.468070 0.570861
C 3.114493 -2.445884 -0.167659
C 2.436671 -3.221962 0.801288
C 3.532242 1.788871 0.846030
C 2.816581 4.032585 0.195082
H -0.965280 2.538700 -1.775372
H 0.750141 2.068214 -1.604594
H 0.844551 0.097047 -2.345685
H -0.547446 -1.005092 -2.231879
H -0.980157 2.716097 0.844270
H -0.020912 3.922563 -0.036527
H 1.059594 1.311996 1.213632
H 1.162749 2.914464 2.010822
H -1.431341 -2.776202 1.062830
H -2.782585 2.170521 -0.822790
H 2.879126 -0.919051 -1.705501
H -3.557543 -2.382152 1.051703
H 0.539171 -3.653840 1.769663
H -5.036669 1.563597 0.016162
H -5.451486 -0.764395 0.925041
H 4.191870 -2.562936 -0.322247
H 2.985883 -3.952340 1.406176
H 3.250326 0.721981 0.818000
H 3.790242 2.055396 1.902891
H 4.442978 1.920937 0.233086
H 3.742604 4.129147 -0.400137
H 2.997820 4.502749 1.196162
H 2.028009 4.612844 -0.314280


