%chk=000049813.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049813

0 1
 O   0.6280000     -0.1795000       1.975000    
 N    2.714600     -0.3500000      0.1886000    
 C   -1.991200      -1.087600      0.2944000    
 C   -1.423500       1.161000     -0.1414000    
 C   -3.295000     -0.8513000     -0.1853000    
 C   -2.727300       1.397200     -0.6210000    
 C   -1.030000     -8.8399999E-02  0.3131000    
 C   -1.826500      -2.521700      0.6918000    
 C  -0.5848000       2.395400     -0.2617000    
 C   -4.107000      -2.108600     -0.1483000    
 C   -2.865500       2.808700      -1.101600    
 C   -3.290400      -2.964100      0.8315000    
 C   -1.663900       3.476900     -0.4178000    
 C   -3.681400      0.3920000     -0.6619000    
 C   0.3252000     -0.3412000      0.7742000    
 C    1.394100     -0.8120000     -0.2250000    
 C    2.752000       1.111800      0.2520000    
 C    3.743400     -0.8455000     -0.7272000    
 C    4.125600       1.587100      0.7188000    
 C    3.771500      -2.371800     -0.7168000    
 C    4.184000       3.103800      0.8139000    
 C    4.848000      -2.912200      -1.645400    
 H   -1.287500      -2.642000       1.635600    
 H   -1.320500      -3.077600     -0.1043000    
 H   4.9899999E-02   2.338400      -1.151600    
 H   1.9600000E-02   2.586500      0.6280000    
 H   -4.137500      -2.566200      -1.142500    
 H   -5.123000      -1.940800      0.2198000    
 H   -3.807900       3.267200     -0.7896000    
 H   -2.771400       2.845800      -2.191700    
 H   -3.420900      -4.036700      0.6580000    
 H   -3.630800      -2.759100       1.856200    
 H   -1.967800       3.827400      0.5786000    
 H   -1.302400       4.350600     -0.9691000    
 H   -4.676800      0.5678000      -1.051600    
 H    1.133800     -0.4569000      -1.229600    
 H    1.299300      -1.901000     -0.2003000    
 H    2.027200       1.507500      0.9677000    
 H    2.520300       1.554300     -0.7259000    
 H    4.748000     -0.5507000     -0.4158000    
 H    3.585700     -0.4732000      -1.747800    
 H    4.923900       1.319500      2.1900000E-02
 H    4.370900       1.152800       1.695300    
 H    2.832700      -2.807000      -1.070100    
 H    3.949400      -2.744700      0.2991000    
 H    5.175700       3.426200       1.146800    
 H    3.447800       3.480400       1.531300    
 H    3.984700       3.567100     -0.1579000    
 H    5.840900      -2.568200      -1.338500    
 H    4.849800      -4.006800      -1.628200    
 H    4.675900      -2.589300      -2.677200    


%chk=000049813-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049813

0 1
O 0.665273 0.038410 1.811247
N 2.795604 0.189919 -0.030420
C -1.944565 -0.774217 0.775143
C -1.619904 0.941535 -0.934481
C -3.270993 -0.975547 0.310477
C -2.958800 0.742459 -1.368167
C -1.076983 0.166923 0.137188
C -1.651497 -1.728279 1.931689
C -0.987983 2.066272 -1.760733
C -3.959202 -2.081501 1.099091
C -3.304582 1.676261 -2.520019
C -3.065216 -2.221124 2.367350
C -2.209889 2.777422 -2.416660
C -3.786408 -0.226995 -0.767071
C 0.351141 0.273924 0.609043
C 1.449808 0.623336 -0.423058
C 3.436297 1.029343 1.016221
C 3.676728 -0.110895 -1.185686
C 4.343222 0.209336 1.957474
C 3.379485 -1.477033 -1.842295
C 5.055814 1.097329 3.000458
C 4.303505 -1.758222 -3.047223
H -1.089238 -1.245638 2.744031
H -1.025446 -2.572345 1.574615
H -0.317905 1.650709 -2.541291
H -0.380978 2.764863 -1.157437
H -3.961007 -3.022642 0.511302
H -5.013154 -1.850369 1.338727
H -4.329466 2.083572 -2.453771
H -3.231526 1.138433 -3.487766
H -3.050912 -3.249256 2.768966
H -3.451610 -1.556198 3.162303
H -2.564931 3.583786 -1.748183
H -1.962144 3.232353 -3.391515
H -4.812715 -0.384260 -1.120416
H 1.394279 1.728974 -0.604817
H 1.178445 0.147764 -1.382912
H 2.637929 1.485276 1.625703
H 4.025962 1.865214 0.558575
H 4.719735 -0.122959 -0.817093
H 3.630873 0.693337 -1.965994
H 5.098171 -0.346255 1.365490
H 3.709598 -0.546335 2.456234
H 2.322204 -1.516868 -2.172554
H 3.493754 -2.262082 -1.071507
H 5.694155 0.493504 3.670892
H 4.322649 1.636092 3.630068
H 5.699573 1.854059 2.511672
H 5.366963 -1.767118 -2.741304
H 4.077578 -2.738339 -3.504811
H 4.187208 -0.984627 -3.830277


