%chk=000050638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050638

0 1
 O   0.9096000     -0.2997000     -0.6135000    
 O    1.355000      -1.787900       1.085300    
 N   -3.330500     -8.6300001E-02 -0.5473000    
 N    6.989300       1.077700      4.1700002E-02
 C   -5.449800     -0.3251000      0.7238000    
 C   -4.731600     -0.5275000     -0.6211000    
 C   -5.353700       1.137500       1.171500    
 C   -3.902100       1.604800       1.162400    
 C   -3.239600       1.335200     -0.1886000    
 C   -2.647100     -0.3383000      -1.816000    
 C   -6.909500     -0.7656000      0.6303000    
 C   -1.181900      7.4500002E-02  -1.719200    
 C  -0.4482000     -0.7172000     -0.6451000    
 C    1.705200     -0.9186000      0.3024000    
 C    3.092600     -0.3941000      0.2352000    
 C    4.138600      -1.230000      0.5690000    
 C    3.293400      0.9128000     -0.1599000    
 C    5.442200     -0.7375000      0.5048000    
 C    4.596900       1.405100     -0.2241000    
 C    5.671300      0.5801000      0.1082000    
 H   -4.956600     -0.9520000       1.479500    
 H   -4.764000      -1.595000     -0.8734000    
 H   -5.265000      9.9999998E-03  -1.417000    
 H   -5.773400       1.255900       2.177200    
 H   -5.943400       1.775500      0.5008000    
 H   -3.859600       2.676300       1.389000    
 H   -3.346700       1.088000       1.955700    
 H   -3.699800       1.966700     -0.9598000    
 H   -2.205400       1.666600     -6.3100003E-02
 H   -2.698900      -1.406300      -2.062600    
 H   -3.123400      0.2076000      -2.640500    
 H   -6.978900      -1.820200      0.3439000    
 H   -7.413200     -0.6464000       1.595300    
 H   -7.457100     -0.1761000     -0.1129000    
 H  -0.7042000     -0.1477000      -2.683600    
 H   -1.027100       1.151700      -1.601600    
 H  -0.4933000      -1.789300     -0.8715000    
 H  -0.8885000     -0.5430000      0.3428000    
 H    3.973100      -2.258600      0.8756000    
 H    2.473700       1.579300     -0.4109000    
 H    6.271100      -1.390700      0.7652000    
 H    4.762500       2.434500     -0.5321000    
 H    7.155700       2.033600     -0.2435000    
 H    7.768600      0.4808000      0.2847000    


%chk=000050638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050638

0 1
O 0.906871 -0.261521 -0.820893
O 1.349353 -2.022832 0.646162
N -3.400698 0.109222 -0.621650
N 7.089529 1.037747 0.343862
C -5.401788 -0.400475 0.810462
C -4.776820 -0.448660 -0.603195
C -5.380468 1.055101 1.338225
C -3.956221 1.645079 1.261757
C -3.387790 1.522102 -0.165353
C -2.740413 -0.083704 -1.937372
C -6.828283 -0.987871 0.800574
C -1.216068 0.173186 -1.904316
C -0.514733 -0.705537 -0.867405
C 1.751875 -1.007890 0.016820
C 3.125128 -0.456610 0.063810
C 4.095302 -1.118359 0.865035
C 3.508781 0.713695 -0.646250
C 5.406418 -0.631761 0.960505
C 4.818083 1.210448 -0.557622
C 5.791411 0.546265 0.249835
H -4.758753 -1.015510 1.473131
H -4.729528 -1.497848 -0.953686
H -5.452242 0.107588 -1.310351
H -5.759981 1.087336 2.377920
H -6.071067 1.670955 0.722914
H -3.958248 2.709956 1.564974
H -3.289587 1.099632 1.957356
H -3.986372 2.171081 -0.860989
H -2.348998 1.896535 -0.181243
H -2.922851 -1.132103 -2.246039
H -3.194977 0.568555 -2.728475
H -6.831825 -2.039209 0.456051
H -7.273249 -0.962696 1.812722
H -7.490109 -0.408083 0.127985
H -0.800868 -0.028238 -2.909980
H -1.001365 1.234866 -1.683194
H -0.549172 -1.778474 -1.132478
H -0.964148 -0.586823 0.133407
H 3.790955 -2.018639 1.409582
H 2.764896 1.225394 -1.263522
H 6.142815 -1.153410 1.583868
H 5.100273 2.115985 -1.108689
H 7.367741 1.876646 -0.157250
H 7.783493 0.569979 0.919992


