%chk=000057655.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057655

0 1
 O   -1.062900      -2.082600      -1.648400    
 N    2.204500       2.343300      0.1982000    
 N  -0.5563000      2.4000001E-03 -0.6699000    
 N   -3.111000       1.575700      0.4774000    
 C    1.383800       1.486200     -0.6567000    
 C   0.2799000      0.8282000      0.1579000    
 C    2.803700       1.562700       1.280000    
 C    3.242900       3.006700     -0.5894000    
 C   -1.721400      0.6529000      -1.278200    
 C  -0.3520000      -1.368400     -0.9422000    
 C    3.610900       2.448300       2.214000    
 C    2.637800       3.823000      -1.718900    
 C   -2.935600      0.5669000     -0.3992000    
 C   0.8263000      -2.013400     -0.3414000    
 C   -3.784600     -0.5144000     -0.5338000    
 C   0.7155000      -2.602400      0.9087000    
 C    2.025800      -2.021300      -1.036200    
 C   -4.899900     -0.5643000      0.2950000    
 C    1.832200      -3.214100       1.478300    
 C    3.142400      -2.633200     -0.4667000    
 C   -4.205800       1.492900       1.266200    
 C   -5.121800      0.4546000       1.214900    
 C    3.045600      -3.229600      0.7907000    
 H    1.997800      0.7399000      -1.171400    
 H   0.8843000       2.072900      -1.434600    
 H  -0.3374000       1.583900      0.6583000    
 H   0.6699000      0.1810000      0.9428000    
 H    2.042000       1.124200       1.928900    
 H    3.431900      0.7463000      0.9023000    
 H    3.796800       3.721400      2.7899999E-02
 H    3.967300       2.291500     -0.9994000    
 H   -1.931600      0.1874000      -2.249100    
 H   -1.480300       1.701800      -1.489000    
 H    4.565400       2.757100       1.776800    
 H    3.050700       3.340600       2.513800    
 H    3.853400       1.893800       3.127900    
 H    2.294600       3.199400      -2.550300    
 H    1.807600       4.447900      -1.371900    
 H    3.398900       4.495300      -2.131500    
 H   -3.610900      -1.302000      -1.257800    
 H  -0.2260000      -2.594100       1.450700    
 H    2.108500      -1.566200      -2.019200    
 H   -5.595900      -1.394700      0.2231000    
 H    1.756900      -3.678100       2.457300    
 H    4.086900      -2.646400      -1.002600    
 H   -4.333200       2.311900       1.966300    
 H   -5.984700      0.4366000       1.870700    
 H    3.915000      -3.705900       1.234100    


%chk=000057655-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057655

0 1
O -1.306947 -2.587972 -1.039066
N 2.215167 2.269484 -0.019519
N -0.306443 -0.492432 -0.828228
N -2.582442 1.981664 -0.624132
C 1.436929 1.358656 -0.888873
C 0.496877 0.472070 -0.035365
C 3.498275 1.678706 0.441945
C 2.332118 3.651002 -0.554410
C -1.398192 0.089446 -1.658088
C -0.330509 -1.872501 -0.626534
C 3.998389 2.275220 1.771547
C 1.024233 4.453126 -0.403455
C -2.554891 0.624923 -0.824618
C 0.838600 -2.534393 0.060736
C -3.532839 -0.247148 -0.279519
C 0.562984 -3.598758 0.956559
C 2.187683 -2.220506 -0.247241
C -4.579324 0.300557 0.492960
C 1.617307 -4.311286 1.565692
C 3.242920 -2.946430 0.348000
C -3.601164 2.494617 0.128758
C -4.618267 1.699687 0.702513
C 2.961393 -3.986207 1.264265
H 2.094324 0.717174 -1.524862
H 0.825674 1.964689 -1.580882
H -0.189026 1.148405 0.508504
H 1.078513 -0.080271 0.719100
H 3.332983 0.594106 0.587551
H 4.296924 1.773566 -0.338459
H 3.130326 4.167080 0.009280
H 2.654480 3.647948 -1.626512
H -1.750524 -0.708071 -2.331825
H -0.985157 0.923356 -2.249069
H 4.214108 3.355526 1.685812
H 3.234487 2.142094 2.557157
H 4.930413 1.773268 2.092210
H 0.174254 3.959432 -0.909343
H 0.763027 4.551711 0.664688
H 1.137298 5.464597 -0.837539
H -3.446201 -1.322268 -0.467021
H -0.481439 -3.863691 1.150556
H 2.411688 -1.434930 -0.977459
H -5.350898 -0.348180 0.921476
H 1.393672 -5.124606 2.264768
H 4.280982 -2.707410 0.090956
H -3.590681 3.581821 0.268451
H -5.413698 2.164813 1.293625
H 3.780515 -4.546085 1.729314


