%chk=000049298.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049298

0 1
 O   0.5057000      0.4307000       2.365600    
 O   0.5545000      0.2522000      -2.436000    
 O    1.206500      -3.498400      0.1145000    
 N   0.8486000      -1.513200       1.209800    
 N   0.8751000      -1.600000      -1.132400    
 C   0.4519000      0.5680000     -4.4100001E-02
 C    1.441600       1.740400     -8.1600003E-02
 C  -0.9669000       1.063300     -7.1800001E-02
 C    2.877800       1.245600      1.8500000E-02
 C   0.6055000     -0.1530000       1.284300    
 C   0.6331000     -0.2496000      -1.312600    
 C   -2.039500      0.2613000      1.8000000E-03
 C   -3.461800      0.7605000     -2.6100000E-02
 C    3.856700       2.408700      6.0000001E-03
 C   0.9900000      -2.286200      6.7199998E-02
 C   -4.200200      0.1842000      -1.233900    
 C   -4.178500      0.3855000       1.270700    
 H    1.244700       2.435300      0.7466000    
 H    1.321900       2.323300      -1.005100    
 H   -1.125800       2.136200     -0.1599000    
 H    3.121300      0.5810000     -0.8178000    
 H    3.039800      0.6780000      0.9411000    
 H   -1.905500     -0.8148000      8.5500002E-02
 H   -3.472600       1.854500     -0.1139000    
 H   0.9393000      -2.002100       2.096100    
 H   0.9850000      -2.153100      -1.977900    
 H    3.767100       2.988200     -0.9184000    
 H    3.680200       3.080600      0.8521000    
 H    4.884800       2.039500      7.5800002E-02
 H   -3.702900      0.4667000      -2.168500    
 H   -5.227600      0.5618000      -1.275500    
 H   -4.245500     -0.9101000      -1.194300    
 H   -4.223000     -0.7010000       1.407200    
 H   -5.205500      0.7663000       1.269300    
 H   -3.665600      0.8128000       2.139600    


%chk=000049298-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049298

0 1
O 0.445668 -0.361950 2.089298
O 1.225866 0.466883 -2.632929
O 1.319101 -3.831041 -0.868554
N 0.831077 -2.054408 0.570730
N 1.226904 -1.656545 -1.723154
C 0.520565 0.289384 -0.282111
C 1.307560 1.594751 0.077854
C -0.957884 0.652792 -0.555034
C 2.826103 1.391040 0.278258
C 0.606200 -0.701049 0.888598
C 1.036599 -0.265808 -1.628752
C -2.032404 0.356665 0.217099
C -3.453268 0.785447 -0.103420
C 3.534587 2.718717 0.622358
C 1.131206 -2.602773 -0.688563
C -4.353185 -0.459236 -0.331958
C -4.022232 1.671182 1.036733
H 0.854549 1.998185 1.001330
H 1.133452 2.321666 -0.736613
H -1.083964 1.237363 -1.478099
H 3.273088 0.968006 -0.643404
H 3.002428 0.662442 1.094509
H -1.908136 -0.211408 1.151789
H -3.439921 1.382167 -1.037857
H 0.814219 -2.721060 1.349850
H 1.487085 -2.028777 -2.642495
H 3.402186 3.459705 -0.187934
H 3.125827 3.156416 1.552132
H 4.619454 2.567638 0.768297
H -3.980136 -1.076498 -1.168659
H -5.389414 -0.150340 -0.563595
H -4.384307 -1.093804 0.574343
H -4.042460 1.114731 1.993043
H -5.057049 1.984552 0.804976
H -3.409162 2.578061 1.183834


