%chk=000003811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003811

0 1
 O    1.081500      -3.038600     -0.4509000    
 O   -4.589800       1.904600      0.8566000    
 O   -7.256600       1.482200      0.8842000    
 N  -0.1358000      -1.544200      0.8399000    
 N    5.336200       1.693700     -5.1600002E-02
 N   -6.476400       1.126800     -0.2240000    
 C   -2.846800     -0.6942000     -0.1454000    
 C   -2.331700      -2.136600     -0.1110000    
 C   -3.863900     -0.4973000      -1.274400    
 C   -1.305700      -2.364500      0.9947000    
 C   -4.373500      0.9408000      -1.354600    
 C   0.9792000      -1.955100      0.1185000    
 C    2.117800      -1.001900      7.4699998E-02
 C   -5.132400       1.391700     -0.1185000    
 C    4.255600      0.7884000     -8.3999997E-03
 C    3.418000      -1.475800     -0.1003000    
 C    1.886500      0.3673000      0.2079000    
 C    4.487000     -0.5807000     -0.1417000    
 C    2.955400       1.262400      0.1664000    
 C    5.104700       3.119300      7.1999997E-02
 C    6.690800       1.211700     -0.2342000    
 H   -3.303700     -0.4594000      0.8225000    
 H   -2.013000      2.6000000E-03 -0.2904000    
 H   -3.174300      -2.821700      4.0899999E-02
 H   -1.884900      -2.385700      -1.081500    
 H   -3.401800     -0.7618000      -2.233000    
 H   -4.710200      -1.178400      -1.123700    
 H   -1.741300      -2.131100       1.972300    
 H   -1.006600      -3.418300       1.006100    
 H   -3.536000       1.633200      -1.502300    
 H   -5.019800       1.046600      -2.234500    
 H  -0.1321000     -0.6600000       1.336600    
 H    3.618400      -2.539300     -0.2016000    
 H   0.8875000      0.7799000      0.3135000    
 H    5.479300     -0.9988000     -0.2790000    
 H    2.723200       2.318000      0.2677000    
 H   -6.967800      0.8054000      -1.050100    
 H    6.040000       3.687600      1.7400000E-02
 H    4.648400       3.364100       1.037600    
 H    4.468100       3.488900     -0.7397000    
 H    7.415400       2.033600     -0.2418000    
 H    6.800000      0.6913000      -1.192200    
 H    6.987100      0.5441000      0.5826000    
 H   -7.290700      0.6299000       1.350800    


%chk=000003811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003811

0 1
O 1.083782 -3.056207 -0.267826
O -5.020741 1.317169 0.938223
O -7.605349 1.685954 0.555217
N -0.125444 -1.542690 1.009749
N 5.466767 1.743199 -0.076651
N -6.748286 1.313732 -0.538575
C -2.895771 -0.830661 -0.150870
C -2.301596 -2.252501 -0.058838
C -3.937471 -0.706032 -1.284806
C -1.298389 -2.427991 1.107098
C -4.537906 0.720766 -1.441913
C 1.005490 -1.910569 0.290527
C 2.123032 -0.912846 0.218793
C -5.413159 1.133567 -0.271371
C 4.374312 0.877983 0.014373
C 3.382919 -1.364103 -0.254665
C 2.006018 0.458579 0.570211
C 4.485078 -0.503332 -0.354161
C 3.097301 1.338831 0.473223
C 5.324523 3.152471 0.309325
C 6.757546 1.249003 -0.573595
H -3.364124 -0.544495 0.810028
H -2.078049 -0.103431 -0.332617
H -3.118828 -2.990215 0.082048
H -1.789073 -2.518171 -1.003585
H -3.461540 -0.980338 -2.247573
H -4.757358 -1.434251 -1.120339
H -1.800989 -2.228981 2.072861
H -0.926051 -3.467767 1.112466
H -3.713241 1.454954 -1.518220
H -5.118823 0.780287 -2.383514
H -0.143647 -0.651334 1.503320
H 3.467188 -2.416669 -0.545748
H 1.046105 0.877298 0.899527
H 5.435298 -0.902657 -0.719092
H 2.953560 2.388202 0.744706
H -7.257258 1.218958 -1.414767
H 6.293119 3.663945 0.194716
H 5.008358 3.258225 1.366934
H 4.582894 3.682834 -0.322960
H 7.488528 2.072752 -0.576631
H 6.678919 0.859543 -1.608986
H 7.161223 0.437810 0.065688
H -6.923567 1.729874 1.306371


