%chk=000043872.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043872

0 1
 O   -1.582300     -0.3831000       1.415100    
 O   -5.081900       1.244000     -0.2261000    
 O   0.9320000      -2.862600      0.5653000    
 N   0.7224000     -0.9159000     -0.2181000    
 N    1.270900      -2.108700     -0.3549000    
 C   -1.480500      0.1377000      9.0800002E-02
 C  -0.6289000     -0.8072000     -0.7622000    
 C    1.573100      0.1383000     -0.7859000    
 C   -2.892300      0.2673000     -0.4876000    
 C    2.681100      0.5129000      0.1969000    
 C    3.592200       1.595100     -0.3836000    
 C   -3.782400       1.183300      0.3477000    
 C    4.676700       1.998800      0.6026000    
 H   -1.021900       1.130200      0.1590000    
 H  -0.6221000     -0.4947000      -1.815600    
 H   -1.123000      -1.790600     -0.7447000    
 H   0.9914000       1.051600     -0.9703000    
 H    1.991200     -0.1550000      -1.759500    
 H   -2.850300      0.6426000      -1.517600    
 H   -3.370200     -0.7197000     -0.5418000    
 H    3.290200     -0.3655000      0.4444000    
 H    2.237500      0.8714000       1.134700    
 H    3.000300       2.479800     -0.6461000    
 H    4.060500       1.232200      -1.306000    
 H   -3.883100      0.8266000       1.377300    
 H   -3.376200       2.199100      0.3745000    
 H    5.316200       2.772800      0.1668000    
 H    4.240500       2.397800       1.523900    
 H    5.308100       1.143400      0.8632000    
 H   -1.996300      -1.261500       1.361700    
 H   -5.444400      0.3416000     -0.2270000    


%chk=000043872-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043872

0 1
O -2.210039 -1.589396 0.624428
O -4.265283 2.124972 0.651440
O 0.005469 -3.195221 0.249368
N 0.858813 -1.315024 -0.646435
N 1.080041 -2.534258 -0.065347
C -1.413126 -0.437611 0.204476
C -0.493105 -0.804911 -1.001791
C 2.078390 -0.533619 -0.948780
C -2.409556 0.673824 -0.172648
C 2.220515 0.739704 -0.083614
C 3.493561 1.534127 -0.455217
C -3.322265 1.049993 1.010027
C 3.667725 2.805950 0.402233
H -0.767310 -0.084972 1.041595
H -0.323326 0.081111 -1.636908
H -1.013341 -1.579830 -1.598883
H 2.069419 -0.261112 -2.022755
H 2.930179 -1.213344 -0.773686
H -1.864180 1.579130 -0.503964
H -3.029332 0.319797 -1.021911
H 2.255641 0.451558 0.984949
H 1.332614 1.391337 -0.213627
H 3.454066 1.812848 -1.528067
H 4.381141 0.880999 -0.333786
H -3.846505 0.148576 1.379116
H -2.727556 1.475436 1.836845
H 4.583749 3.356183 0.121265
H 2.809869 3.492912 0.276805
H 3.741637 2.554006 1.476484
H -1.598301 -2.384729 0.611731
H -4.931104 1.763561 0.013558


