%chk=000093399.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093399

0 1
 O   -1.699200     -0.3350000      0.1386000    
 O   0.7257000       1.401800     -0.6799000    
 O    3.392900     -0.1343000      0.2789000    
 O   0.5250000      0.9422000       1.576300    
 O    2.979900      -2.287500     -0.4313000    
 O   -5.071200      0.5415000      0.4103000    
 O   -3.228300       1.655300      0.8587000    
 N   -3.807900      0.6047000      0.4549000    
 C   -1.157400      -1.497100     -0.2871000    
 C    1.169600     -0.7597000      8.8999998E-03
 C   0.2578000      -1.689500     -0.3356000    
 C   -2.119100      -2.400600     -0.6418000    
 C   -3.046000     -0.4950000      5.5900000E-02
 C   -3.355300      -1.748500     -0.4186000    
 C   0.7639000      0.6099000      0.4253000    
 C    2.599200      -1.181100     -7.7100001E-02
 C   0.3643000       2.766400     -0.4448000    
 C    4.802000     -0.3793000      0.2243000    
 C   0.3668000       3.511200      -1.762700    
 C    5.537300      0.8747000      0.6468000    
 H   0.5842000      -2.676900     -0.6547000    
 H   -1.968600      -3.404000      -1.015000    
 H   -4.345500      -2.148800     -0.5852000    
 H  -0.6347000       2.808500      2.3000001E-03
 H    1.088300       3.222800      0.2396000    
 H    5.055800      -1.203100      0.9007000    
 H    5.086400     -0.6481000     -0.7992000    
 H   9.4700001E-02   4.560700      -1.619500    
 H    1.355400       3.462500      -2.231000    
 H  -0.3399000       3.055100      -2.463900    
 H    6.619800      0.7227000      0.6162000    
 H    5.278700       1.712200     -9.3999999E-03
 H    5.249500       1.166300       1.662200    


%chk=000093399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093399

0 1
O -1.664964 -0.256252 -0.023130
O 0.682036 1.439179 -0.623639
O 3.541281 -0.172706 0.224203
O 0.940392 0.977093 1.652528
O 3.071728 -2.406250 -0.277645
O -5.134620 0.609736 0.018183
O -3.258544 1.910086 0.308744
N -3.849517 0.780610 0.083858
C -1.126938 -1.536350 -0.291455
C 1.262434 -0.787596 0.010294
C 0.297302 -1.723871 -0.269587
C -2.183573 -2.430073 -0.543892
C -3.047715 -0.392265 -0.120065
C -3.408449 -1.701577 -0.433555
C 0.956801 0.622314 0.451723
C 2.687184 -1.234993 -0.030636
C 0.184532 2.820757 -0.292505
C 5.005923 -0.484104 0.229225
C 0.017472 3.553457 -1.617746
C 5.729089 0.818998 0.547844
H 0.646601 -2.739524 -0.497970
H -2.071835 -3.486351 -0.780025
H -4.423821 -2.065374 -0.565185
H -0.770940 2.698700 0.247397
H 0.921555 3.300662 0.375369
H 5.184533 -1.268396 0.986864
H 5.272568 -0.892283 -0.762499
H -0.361518 4.574290 -1.428735
H 0.978110 3.631364 -2.155192
H -0.707748 3.032422 -2.265356
H 6.819622 0.641625 0.574272
H 5.519618 1.584733 -0.218152
H 5.415497 1.211940 1.529568


