%chk=000058542.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058542

0 1
 O  -0.2921000      0.1435000      0.7827000    
 N   -3.036400      0.1950000     -0.8703000    
 N   -3.324000      0.5015000       1.372500    
 C    1.181700      -2.223900      0.1587000    
 C   -4.419100     -0.1707000     -0.7053000    
 C   -2.536100      0.6202000      0.3321000    
 C    1.771400     -0.8544000      7.9300001E-02
 C   -4.558400     -0.1322000      0.8219000    
 C   -1.164900       1.205700      0.4703000    
 C    1.020500      0.2711000      0.3906000    
 C    3.100900     -0.7064000     -0.3158000    
 C    1.893400      -3.110200       1.197400    
 C    1.158700      -2.933500      -1.207700    
 C   -2.451000      0.3468000      -2.176100    
 C    1.574400       1.542000      0.3142000    
 C    2.903900       1.690000     -8.1000000E-02
 C    3.667200      0.5657000     -0.3959000    
 C    3.509800       3.050000     -0.1677000    
 H   0.1353000      -2.161900      0.4825000    
 H   -4.640500      -1.164400      -1.106400    
 H   -5.078900      0.5659000      -1.176000    
 H   -5.441000      0.4414000       1.122700    
 H   -4.650500      -1.144300       1.231400    
 H   -1.172700       1.931200       1.291700    
 H  -0.9082000       1.715000     -0.4656000    
 H    3.715400      -1.566800     -0.5658000    
 H    2.932500      -3.316300      0.9190000    
 H    1.379400      -4.072400       1.297400    
 H    1.898500      -2.628300       2.181500    
 H   0.6342000      -2.324800      -1.952600    
 H   0.6378000      -3.894300      -1.132400    
 H    2.167600      -3.131300      -1.585400    
 H   -2.982800     -0.2589000      -2.917200    
 H   -1.405800      2.1600001E-02  -2.175300    
 H   -2.494000       1.392700      -2.495500    
 H    1.015300       2.433600      0.5827000    
 H    4.704600      0.6671000     -0.7035000    
 H    4.358300       3.066100     -0.8601000    
 H    2.781200       3.779800     -0.5370000    
 H    3.860200       3.368700      0.8191000    


%chk=000058542-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058542

0 1
O -0.310090 0.096700 0.023463
N -3.243630 0.168633 -0.882742
N -3.374959 1.055349 1.253805
C 1.238614 -2.238158 0.000616
C -4.589184 -0.270924 -0.427762
C -2.618178 0.808537 0.197968
C 1.892992 -0.855931 0.072648
C -4.744930 0.531735 0.909226
C -1.190667 1.277704 0.138643
C 1.085625 0.322525 0.070526
C 3.291502 -0.668172 0.111770
C 2.074969 -3.354297 0.667770
C 0.921398 -2.605300 -1.477924
C -2.590179 -0.495395 -2.008871
C 1.658568 1.613402 0.113897
C 3.067900 1.777362 0.150617
C 3.877668 0.619909 0.148452
C 3.675215 3.170029 0.189705
H 0.271043 -2.167653 0.533544
H -4.599084 -1.370822 -0.263989
H -5.364254 -0.024484 -1.175840
H -5.430267 1.392365 0.788160
H -5.127306 -0.088230 1.737478
H -0.980551 1.829562 1.071530
H -1.028120 1.945710 -0.733330
H 3.944641 -1.547251 0.124116
H 3.014560 -3.549863 0.117134
H 1.501217 -4.299390 0.679559
H 2.335213 -3.096945 1.710484
H 0.283559 -1.835718 -1.946702
H 0.393446 -3.576280 -1.533625
H 1.854179 -2.686039 -2.067064
H -2.402650 -1.572552 -1.807799
H -1.618530 -0.021652 -2.217498
H -3.219714 -0.413981 -2.914441
H 1.025876 2.507118 0.123915
H 4.968554 0.721397 0.181413
H 4.772023 3.124988 0.301745
H 3.455949 3.732560 -0.738086
H 3.273381 3.763052 1.032593


