%chk=000060381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060381

0 1
 O   -3.265800      0.2031000     -0.5756000    
 O   -2.638900      -3.266600      0.1037000    
 O   -5.895900     -0.2896000      0.3062000    
 O    4.930800      -2.259400     -0.4844000    
 O    4.477400      -2.189400       1.662400    
 N   -1.150100       1.141200     -0.1435000    
 N  -0.6248000       2.466100       1.570700    
 N   0.5704000       1.803700      -1.724900    
 N    2.023100       3.524700     -0.7847000    
 N    4.115500      -2.139700      0.4619000    
 N    1.722500       4.393300       1.424800    
 C   -1.423900      -1.337000     -0.7346000    
 C   -2.476200      -1.866300      0.2359000    
 C   -1.867300      0.1305000     -0.9217000    
 C   -3.716800      -1.113400     -0.2248000    
 C   3.9600000E-02  -1.549900     -0.4187000    
 C   -4.798600      -1.015300      0.8363000    
 C  -6.3400000E-02   1.864900     -0.5442000    
 C   0.9657000      -1.686600      -1.453700    
 C   0.4665000      -1.609300      0.9088000    
 C   -1.449900       1.538100       1.132800    
 C   0.2470000       2.679900      0.5327000    
 C    2.315600      -1.882400      -1.162100    
 C    1.816500      -1.805000       1.200600    
 C    2.741200      -1.941500      0.1651000    
 C    1.335700       3.533000      0.3827000    
 C    1.604000       2.673100      -1.751700    
 H   -1.609300      -1.860500      -1.686500    
 H   -2.261600      -1.627400       1.281600    
 H   -1.773300      0.4273000      -1.973200    
 H   -4.138200      -1.565900      -1.132000    
 H   -4.442200     -0.4668000       1.713700    
 H   -5.146400      -2.002700       1.154500    
 H   -1.794800      -3.683600      0.3465000    
 H   0.6476000      -1.638500      -2.491800    
 H  -0.2186000      -1.492000       1.741200    
 H   -2.269900       1.119000       1.699500    
 H    3.007600      -1.983200      -1.994200    
 H    2.112500      -1.841700       2.245900    
 H   -6.240200     -0.7893000     -0.4537000    
 H    2.177900       2.692100      -2.672000    
 H    2.516900       5.004100       1.291600    
 H    1.210900       4.401500       2.296900    


%chk=000060381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060381

0 1
O -3.333667 0.234832 -0.627552
O -2.670350 -3.301146 -0.099052
O -6.092795 -0.564112 0.448653
O 4.915997 -2.733419 -0.484590
O 4.573263 -1.942057 1.627446
N -1.229245 1.211136 -0.115710
N -0.720541 2.539741 1.685593
N 0.624904 1.857657 -1.638453
N 2.109481 3.533132 -0.615456
N 4.165123 -2.228883 0.436555
N 1.783385 4.390426 1.561512
C -1.419474 -1.247661 -0.866335
C -2.455961 -1.874758 0.110178
C -1.909834 0.242814 -0.987823
C -3.758972 -1.143969 -0.264777
C 0.036715 -1.477331 -0.512148
C -4.796736 -1.101461 0.859834
C -0.071990 1.917545 -0.467442
C 0.916171 -2.024392 -1.482839
C 0.548733 -1.179978 0.781475
C -1.574734 1.629101 1.182501
C 0.227504 2.727210 0.660631
C 2.269656 -2.272131 -1.186671
C 1.898478 -1.419519 1.097982
C 2.741725 -1.966051 0.106931
C 1.379313 3.561965 0.551044
C 1.699910 2.704343 -1.623676
H -1.622944 -1.709048 -1.852222
H -2.179296 -1.667268 1.166080
H -1.775326 0.609616 -2.019844
H -4.184557 -1.640511 -1.163068
H -4.457553 -0.424151 1.662011
H -4.894594 -2.130470 1.268876
H -1.875220 -3.806693 0.206020
H 0.536943 -2.247561 -2.486132
H -0.100940 -0.748608 1.549987
H -2.481502 1.284449 1.670991
H 2.957122 -2.688973 -1.927050
H 2.307448 -1.189591 2.085211
H -6.482390 -1.144677 -0.253384
H 2.312505 2.722425 -2.529920
H 2.612281 4.965568 1.424981
H 1.250765 4.435061 2.427648


