%chk=000002583.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002583

0 1
 O   0.3829000      -1.647500     -0.7722000    
 O    2.759700      -2.078700      -2.197200    
 O   -4.249700       2.683700     -0.8588000    
 N    3.010000      0.2182000      0.6956000    
 N   -3.684200      0.7580000      0.2581000    
 C    3.163500       1.664400      0.7777000    
 C    2.924300     -0.2185000     -0.6915000    
 C    2.773000      -1.737000     -0.8082000    
 C    3.258800       2.062400       2.254300    
 C    4.447800       2.061400      4.2199999E-02
 C    1.952200       2.342300      0.1264000    
 C   -1.619500     -0.4144000     -0.2668000    
 C    1.495400      -2.268100     -0.1616000    
 C   -1.392600      0.5325000      -1.409700    
 C  -0.7436000      -1.477800     -2.3800001E-02
 C   -2.781800     -0.2921000      0.5051000    
 C   -1.998800       1.896000      -1.112900    
 C   -3.422200       1.810600     -0.5977000    
 C   -1.021600      -2.398300      0.9877000    
 C   -3.070100      -1.224300       1.504700    
 C   -2.183700      -2.273000       1.748700    
 H    2.093300      0.2368000      -1.238200    
 H    3.832800      2.8600000E-02  -1.250700    
 H    2.170300     -6.3000001E-02   1.200000    
 H    3.636600      -2.240400     -0.3572000    
 H    2.353100       1.780300       2.804200    
 H    3.387200       3.145200       2.365200    
 H    4.111400       1.577500       2.744300    
 H    4.359800       2.022600      -1.048700    
 H    5.300000       1.441900      0.3467000    
 H    4.712500       3.099400      0.2806000    
 H    1.947200       2.280800     -0.9666000    
 H    1.946900       3.413500      0.3642000    
 H    1.008200       1.931200      0.5030000    
 H    1.541900      -2.093800      0.9198000    
 H    1.424800      -3.347400     -0.3439000    
 H  -0.3246000      0.6619000      -1.613600    
 H   -1.855800      0.1045000      -2.307200    
 H   -1.985500       2.510400      -2.019700    
 H   -1.410200       2.416100     -0.3472000    
 H   -4.580700      0.7351000      0.7359000    
 H  -0.3835000      -3.253400       1.190500    
 H   -3.975300      -1.141200       2.100300    
 H   -2.405000      -2.999700       2.525100    
 H    3.607900      -1.794300      -2.578200    


%chk=000002583-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002583

0 1
O 0.391940 -1.117578 -0.298730
O 2.541742 -2.224434 -2.154857
O -5.052687 2.167079 -0.809863
N 2.926740 0.528831 0.415968
N -4.228441 0.195875 0.093965
C 3.597754 1.858822 0.592049
C 2.915441 -0.084643 -0.928680
C 2.724452 -1.617536 -0.822771
C 3.318069 2.290592 2.052443
C 5.125923 1.698257 0.393525
C 3.046004 2.939445 -0.386306
C -1.892673 -0.488355 -0.081753
C 1.508190 -2.031121 0.005818
C -1.690582 0.636773 -1.081691
C -0.856069 -1.382949 0.288228
C -3.181949 -0.689404 0.471135
C -2.602825 1.841352 -0.753268
C -4.058893 1.439787 -0.520956
C -1.096750 -2.458875 1.179886
C -3.445385 -1.763570 1.358661
C -2.397618 -2.639606 1.700558
H 2.122873 0.308172 -1.602638
H 3.891259 0.104061 -1.415791
H 1.964895 0.565932 0.785434
H 3.616597 -2.051567 -0.320432
H 2.230120 2.391855 2.234958
H 3.788314 3.266175 2.269443
H 3.717084 1.539324 2.756517
H 5.384294 1.443960 -0.651114
H 5.509601 0.898940 1.051518
H 5.644746 2.642266 0.640157
H 3.203484 2.641844 -1.439550
H 3.552146 3.910582 -0.231658
H 1.960554 3.090158 -0.230485
H 1.750232 -1.966357 1.084393
H 1.233352 -3.069716 -0.258500
H -0.632237 0.945612 -1.101564
H -1.922288 0.264218 -2.100950
H -2.590856 2.595364 -1.557060
H -2.250377 2.340347 0.172361
H -5.192680 -0.053015 0.332688
H -0.298624 -3.148377 1.465383
H -4.448907 -1.903744 1.775975
H -2.590365 -3.472097 2.385726
H 3.277500 -1.930280 -2.749473


