%chk=000039898.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039898

1 1
 O    5.353600      -1.698500      4.6999999E-03
 O   -5.202000       1.570000     -2.0999999E-03
 O    5.925900       1.019700      2.9000000E-03
 O   -5.897700      -1.113900     -2.0999999E-03
 N  -4.8300002E-02   1.617700     -2.4000001E-03
 C  -0.4554000      0.3312000     -7.9999998E-04
 C   0.5476000     -0.6792000      7.9999998E-04
 C    1.932400     -0.2999000      8.9999998E-04
 C   -1.850700      1.2600000E-02 -8.9999998E-04
 C    2.258000       1.072300     -7.9999998E-04
 C   -2.234300      -1.348900      1.9999999E-04
 C    1.230500       2.001100     -2.4999999E-03
 C   0.1027000      -2.016000      2.3000001E-03
 C   -1.254000      -2.342900      1.9000000E-03
 C    3.020800      -1.209600      2.3000001E-03
 C   -2.890900      0.9746000     -1.9000000E-03
 C    3.595900       1.501600     -8.9999998E-04
 C  -0.8872000       2.815200     -7.1000000E-03
 C   -3.593500      -1.707200     -9.9999997E-05
 C    4.350200     -0.7770000      2.7999999E-03
 C   -4.238500      0.6057000     -2.2000000E-03
 C    4.637700      0.5800000      1.4000000E-03
 C   -4.590000     -0.7358000     -1.3000000E-03
 C    5.831800      -2.138400      -1.264800    
 C   -5.660100       2.027400      -1.272600    
 C    6.538100       1.231300       1.274200    
 C   -6.522300      -1.293100       1.268100    
 H    1.472100       3.060900     -3.3000000E-03
 H   0.8049000      -2.845500      3.5000001E-03
 H   -1.531900      -3.395500      3.0000000E-03
 H    2.846400      -2.283000      4.6000001E-03
 H   -2.830400       2.040200      4.3000001E-03
 H    3.831100       2.564800     -2.9000000E-03
 H   -1.433400       2.865000      0.9393000    
 H  -0.3072000       3.746500     -1.4800000E-02
 H   -1.438900       2.854400     -0.9508000    
 H   -3.881800      -2.757500     -3.0000001E-04
 H    5.029700      -2.624500      -1.829300    
 H    6.631200      -2.865000      -1.096700    
 H    6.237600      -1.297700      -1.836300    
 H   -6.102100       1.204100      -1.842600    
 H   -4.837500       2.476900      -1.838000    
 H   -6.427100       2.788700      -1.106500    
 H    6.569100      0.2990000       1.846800    
 H    5.998400       2.000200       1.836100    
 H    7.563000       1.573900       1.107800    
 H   -6.510300     -0.3590000       1.838600    
 H   -6.021200      -2.085500       1.833100    
 H   -7.562000      -1.587000       1.100000    


%chk=000039898-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039898

1 1
O 5.259611 -1.806040 -0.361161
O -5.220475 1.522673 -0.656062
O 6.010483 1.050504 -0.233021
O -5.951996 -1.245200 0.105480
N -0.031116 1.787627 0.380899
C -0.471554 0.438908 0.252293
C 0.540116 -0.585619 0.243819
C 1.947633 -0.237850 0.120473
C -1.880203 0.082840 0.150759
C 2.306654 1.162102 0.091545
C -2.236784 -1.312046 0.331048
C 1.286335 2.117714 0.274195
C 0.129179 -1.956901 0.371772
C -1.206260 -2.301606 0.472540
C 2.989530 -1.190858 -0.025004
C -2.938374 0.976555 -0.209481
C 3.675250 1.564037 -0.021434
C -0.939308 2.903801 0.802638
C -3.606405 -1.704908 0.327837
C 4.326755 -0.793964 -0.198117
C -4.275507 0.563719 -0.272247
C 4.686115 0.613249 -0.134594
C -4.633102 -0.787443 0.087080
C 6.229176 -1.715048 -1.494621
C -6.077267 1.181256 -1.827851
C 6.921831 0.624075 0.868625
C -6.893319 -0.527926 1.010806
H 1.528534 3.178665 0.373989
H 0.888039 -2.740212 0.422069
H -1.496462 -3.347366 0.617067
H 2.793312 -2.264291 -0.066690
H -2.754894 1.997128 -0.544077
H 3.955037 2.622121 0.007056
H -1.764730 2.505748 1.406891
H -0.358209 3.605048 1.420329
H -1.341394 3.442131 -0.070023
H -3.877649 -2.747570 0.521143
H 5.695679 -1.963414 -2.428205
H 6.989286 -2.477891 -1.277495
H 6.678455 -0.711677 -1.563612
H -6.587990 0.214155 -1.684243
H -5.453909 1.148726 -2.739165
H -6.805470 2.001541 -1.895667
H 6.930778 -0.474296 0.980348
H 6.604251 1.099975 1.813198
H 7.914497 0.991815 0.574347
H -6.879206 0.559930 0.825739
H -6.622374 -0.740146 2.060243
H -7.882580 -0.949373 0.784140


