%chk=000037473.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037473

0 1
 O   -4.803000      -1.760200       1.019600    
 O    2.441500     -0.4475000       2.019400    
 N  -0.6448000      0.2367000      0.2717000    
 C   -2.051700      0.1947000      0.6680000    
 C   -2.799700     -0.9470000     -4.9199998E-02
 C   -4.934100      0.4096000     -2.1500001E-02
 C   -2.686400       1.583300      0.4828000    
 C   -4.208800       1.574200      0.6631000    
 C   -2.798600     -0.9328000      -1.585800    
 C   -4.243700     -0.8686000      0.3898000    
 C   -4.949400      0.4572000      -1.553900    
 C   -3.594400      0.2093000      -2.223900    
 C   9.1600001E-02   1.205600       1.090800    
 C  -4.4199999E-02  -1.097800      0.3646000    
 C    2.287800     -4.9600001E-02  0.6489000    
 C    1.550800       1.308200      0.6318000    
 C    1.419500      -1.090800     -9.4599999E-02
 C    3.704200     -2.2500001E-02  7.1800001E-02
 C    4.233300       1.171000     -0.4175000    
 C    4.463900      -1.190900      3.6499999E-02
 C    5.524800       1.196000     -0.9435000    
 C    5.755500      -1.165700     -0.4895000    
 C    6.286000      2.7799999E-02 -0.9795000    
 H   -2.113300     -3.0300001E-02   1.744900    
 H   -2.449900      -1.925900      0.3010000    
 H   -5.969600      0.3824000      0.3384000    
 H   -2.427000       2.019200     -0.4861000    
 H   -2.308000       2.288000       1.232900    
 H   -4.416500       1.516100       1.740400    
 H   -4.623600       2.529700      0.3208000    
 H   -3.248100      -1.875100      -1.928900    
 H   -1.779500     -0.9251000      -1.986500    
 H   -5.358600       1.414100      -1.898200    
 H   -5.640400     -0.3192000      -1.909700    
 H   -3.758700     -1.9400001E-02  -3.284500    
 H   -3.000600       1.126500      -2.224000    
 H   4.1900001E-02  0.9524000       2.157200    
 H  -0.3061000       2.218500      0.9793000    
 H  -0.5216000      -1.823400     -0.2989000    
 H  -0.1161000      -1.495200       1.385100    
 H    1.546100       1.727600     -0.3833000    
 H    2.059500       2.025100       1.289600    
 H    1.811000      -2.104100      5.8300000E-02
 H    1.451800     -0.8933000      -1.175200    
 H    1.564400     -0.5803000       2.412800    
 H    3.689300       2.108600     -0.4056000    
 H    4.076500      -2.128800      0.4240000    
 H    5.939600       2.125300      -1.323200    
 H    6.349500      -2.074500     -0.5148000    
 H    7.292200      4.7499999E-02  -1.387900    


%chk=000037473-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037473

0 1
O -5.011371 -1.931844 0.488148
O 2.503698 -0.672820 2.077202
N -0.661554 0.050685 0.337077
C -2.116887 -0.007674 0.708680
C -2.906934 -0.933005 -0.288804
C -5.017462 0.458902 -0.091106
C -2.739107 1.413614 0.807329
C -4.288904 1.420300 0.898023
C -2.769545 -0.547750 -1.797633
C -4.387348 -0.914065 0.083223
C -4.927515 0.864092 -1.597021
C -3.500998 0.760258 -2.196970
C 0.115278 1.026536 1.149196
C -0.011820 -1.286059 0.414382
C 2.317103 -0.223123 0.675480
C 1.574616 1.142134 0.664459
C 1.445063 -1.255933 -0.089609
C 3.721488 -0.105363 0.074097
C 3.886521 0.291157 -1.278898
C 4.874644 -0.382165 0.848760
C 5.174818 0.407211 -1.845066
C 6.164542 -0.265701 0.282173
C 6.321783 0.128935 -1.065677
H -2.224594 -0.489254 1.719541
H -2.565825 -1.975246 -0.157033
H -6.083375 0.397053 0.196545
H -2.400807 2.010764 -0.056704
H -2.355489 1.922004 1.711464
H -4.591225 1.131847 1.924802
H -4.656533 2.453069 0.740472
H -3.181943 -1.388841 -2.390427
H -1.694335 -0.464597 -2.042096
H -5.320864 1.892567 -1.719917
H -5.607811 0.195287 -2.161907
H -3.571082 0.807982 -3.301235
H -2.897474 1.632993 -1.895029
H 0.092006 0.751110 2.240753
H -0.348166 2.022128 1.069454
H -0.572675 -2.003928 -0.205455
H -0.050237 -1.684982 1.466521
H 1.572142 1.545569 -0.364465
H 2.125833 1.852742 1.307494
H 1.898403 -2.258098 0.021618
H 1.440860 -1.003138 -1.165313
H 1.611110 -0.771688 2.494914
H 3.010835 0.512251 -1.902229
H 4.743029 -0.687892 1.889257
H 5.283376 0.714011 -2.891661
H 7.046804 -0.484133 0.894997
H 7.322229 0.218699 -1.504005


