%chk=000049321.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049321

0 1
 O  -0.4046000      5.6299999E-02  -2.434200    
 O  -0.4763000      0.3584000       2.349400    
 O   -2.347500      -3.194400      0.1437000    
 N   -1.333700      -1.567300      -1.117700    
 N   -1.366200      -1.421100       1.220600    
 C  -9.6400000E-02  0.2857000     -4.2100001E-02
 C  -0.4587000       1.774100     -0.1411000    
 C    1.400500      0.1536000     -1.1900000E-02
 C  -0.6249000     -0.3947000      -1.308200    
 C  -0.6631000     -0.2316000       1.283100    
 C   -1.945300       2.003000     -0.1146000    
 C    1.977800      -1.110000      1.0000000E-03
 C    2.189600       1.296800      2.7999999E-03
 C   -1.718200      -2.136300      8.6400002E-02
 C   -2.581200       2.235000       1.225900    
 C    3.367200      -1.232200      2.8800000E-02
 C    3.578900       1.174400      3.0900000E-02
 C   -2.665700       2.040200      -1.246300    
 C    4.167900     -9.0000004E-02  4.3499999E-02
 H  -6.8099998E-02   2.228000      -1.064600    
 H  -5.3399999E-02   2.363300      0.6935000    
 H   -1.633200      -2.052700      -1.958900    
 H   -1.690300      -1.798300       2.107000    
 H    1.375400      -2.013200     -6.8000001E-03
 H    1.829400       2.317000     -1.3100000E-02
 H   -3.540700       2.755100       1.121800    
 H   -2.785400       1.295100       1.743500    
 H   -1.951400       2.866300       1.860700    
 H    3.825700      -2.216700      3.9700001E-02
 H    4.204000       2.062800      4.0800001E-02
 H   -2.212300       1.913500      -2.222400    
 H   -3.736200       2.217800      -1.222500    
 H    5.249600     -0.1853000      6.4900003E-02


%chk=000049321-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049321

0 1
O -0.714489 -0.441941 -2.391821
O -0.691590 0.725919 2.295131
O -1.985005 -3.490003 0.863556
N -1.270719 -1.943204 -0.737621
N -1.231615 -1.385868 1.552072
C -0.201303 0.235616 -0.076004
C -0.548161 1.723956 -0.454464
C 1.359795 0.069281 -0.026175
C -0.759015 -0.706580 -1.162567
C -0.738185 -0.087709 1.336047
C -2.031317 2.106928 -0.339598
C 2.080076 -0.591798 -1.053545
C 2.081027 0.655563 1.048130
C -1.518963 -2.359712 0.582040
C -2.391701 3.041139 0.802564
C 3.490063 -0.675442 -0.998463
C 3.488471 0.570668 1.096967
C -2.962221 1.678138 -1.236156
C 4.201139 -0.097639 0.075402
H -0.188143 1.863632 -1.489364
H 0.054566 2.370366 0.205361
H -1.552550 -2.602774 -1.470480
H -1.480721 -1.631049 2.516024
H 1.559516 -1.025390 -1.912133
H 1.542462 1.170692 1.850417
H -3.475881 3.244210 0.836735
H -2.070999 2.624509 1.774672
H -1.866505 4.010318 0.684578
H 4.029470 -1.189674 -1.801491
H 4.026755 1.027585 1.934662
H -2.700760 1.055569 -2.098140
H -4.014122 1.971787 -1.137908
H 5.293824 -0.164491 0.115170


