%chk=000021858.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021858

0 1
 O    2.729700       2.301600     -9.4999997E-03
 O    3.653600     -0.8672000      1.3400000E-02
 O   -4.004700       1.021900     -3.7200000E-02
 N   0.3838000       2.343700     -2.1600001E-02
 N    1.683200      -2.146500      1.1100000E-02
 N   -2.855100      -1.026900     -1.8900000E-02
 N    1.068000      0.1085000     -5.4000001E-03
 N   -1.261500      0.6835000     -2.0700000E-02
 N  -0.5947000      -1.621500     -3.8000001E-03
 C    1.689300       4.382200      1.3000000E-03
 C    3.885300      -3.181800     -6.0000003E-04
 C   -5.286200     -0.9192000     -2.4000001E-03
 C   4.4500001E-02  0.9685000     -1.5699999E-02
 C   0.6714000      -1.174300     -9.9999997E-05
 C   -1.507400     -0.6366000     -1.4400000E-02
 C    1.657900       2.928500     -1.8400000E-02
 C    3.064400      -1.942600      1.6899999E-02
 C   -3.983200     -0.2042000     -2.9600000E-02
 C    2.778200       5.063700     -0.5425000    
 C    5.148700      -3.150400      0.5513000    
 C   -6.391300     -0.3089000     -0.5573000    
 C   0.6304000       5.095200      0.5636000    
 C    3.356500      -4.322200     -0.5677000    
 C   -5.346900      -2.169500      0.5763000    
 C    2.808400       6.458100     -0.5237000    
 C    5.919100      -4.313200      0.5352000    
 C   -7.614000     -0.9799000     -0.5323000    
 C   0.6606000       6.489700      0.5820000    
 C    4.126900      -5.484900     -0.5837000    
 C   -6.569700      -2.840400      0.6012000    
 C    1.749600       7.171000      3.8400002E-02
 C    5.408200      -5.480300     -3.2200001E-02
 C   -7.703200      -2.245600      4.6900000E-02
 H  -0.4347000       2.943500     -6.8000004E-02
 H    1.317300      -3.092500      5.8200002E-02
 H   -2.971200      -2.034900     -5.6600001E-02
 H    3.611200       4.527600     -0.9900000    
 H    5.559200      -2.252100       1.002400    
 H   -6.338000      0.6731000      -1.017600    
 H  -0.2202000       4.609200       1.032100    
 H    2.382800      -4.360900      -1.044300    
 H   -4.501800      -2.652200       1.055200    
 H    3.655800       6.988900     -0.9476000    
 H    6.916400      -4.310200      0.9654000    
 H   -8.496400     -0.5174000     -0.9646000    
 H  -0.1596000       7.045400       1.027300    
 H    3.733500      -6.391700      -1.033900    
 H   -6.642000      -3.822000       1.060500    
 H    1.773800       8.256800      5.4400001E-02
 H    6.008700      -6.385200     -4.6500001E-02
 H   -8.655600      -2.767200      6.8099998E-02


%chk=000021858-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021858

0 1
O 2.768223 2.567163 -0.781485
O 3.603664 -1.138442 1.106640
O -4.001861 1.028574 -0.600776
N 0.489994 2.473353 -0.165192
N 1.693971 -2.144796 0.145994
N -2.767025 -0.916375 -0.078337
N 1.221663 0.195304 -0.002712
N -1.136277 0.843707 -0.103219
N -0.528858 -1.502874 0.012404
C 1.650991 4.635843 -0.178070
C 3.801811 -3.395569 0.234125
C -5.217253 -1.004489 -0.075304
C 0.218033 1.110118 -0.094337
C 0.780936 -1.093732 0.062256
C -1.440548 -0.476185 -0.064332
C 1.722101 3.145342 -0.395742
C 3.064460 -2.115538 0.532061
C -3.964717 -0.185008 -0.270964
C 2.657330 5.427791 -0.789864
C 4.970286 -3.670841 0.990848
C -6.402258 -0.530584 -0.695713
C 0.661116 5.265418 0.623062
C 3.399926 -4.301975 -0.782822
C -5.270804 -2.182901 0.716211
C 2.662966 6.826954 -0.622978
C 5.712031 -4.845146 0.751859
C -7.614694 -1.234003 -0.549328
C 0.670906 6.667201 0.792578
C 4.147337 -5.475377 -1.024251
C -6.487940 -2.882839 0.867396
C 1.666425 7.451339 0.165303
C 5.299568 -5.753280 -0.253038
C -7.660024 -2.415073 0.229549
H -0.367004 3.034778 -0.140664
H 1.258860 -3.062223 0.015569
H -2.836904 -1.934168 0.006309
H 3.425167 4.920291 -1.383030
H 5.278798 -2.945770 1.751245
H -6.346273 0.393423 -1.280443
H -0.095245 4.673351 1.152305
H 2.536867 -4.077494 -1.420997
H -4.386007 -2.540446 1.257329
H 3.440425 7.430775 -1.103190
H 6.610008 -5.053213 1.343429
H -8.522459 -0.864227 -1.037924
H -0.090073 7.144749 1.419079
H 3.839541 -6.164148 -1.818389
H -6.524076 -3.783844 1.489165
H 1.670677 8.539062 0.296637
H 5.877833 -6.664789 -0.440485
H -8.602614 -2.960986 0.346636


