%chk=000030844.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030844

0 1
 O    2.741400       1.443100       2.089300    
 O    5.121600       2.316000      -1.744200    
 N   -2.305300       1.086200      0.5880000    
 N    3.884700       1.858800      0.1441000    
 C   0.5443000      0.4152000      0.7442000    
 C    1.918800      0.3367000      8.5699998E-02
 C  -0.4697000     -0.4684000      9.7000003E-03
 C   3.5900000E-02   1.860100      0.7878000    
 C    1.805500      0.8982000      -1.349700    
 C   -1.872100     -0.3174000      0.6026000    
 C   -1.383100       1.933800       1.355500    
 C    2.385200      -1.129800      0.1005000    
 C    2.854700       1.267000      0.8746000    
 C    3.165700      0.9701000      -2.026400    
 C   -3.666400       1.207200       1.110000    
 C    4.141400       1.787600      -1.219900    
 C    3.093800      -1.616700       1.193600    
 C    2.094300      -1.956500     -0.9795000    
 C   -4.652800      0.4147000      0.2940000    
 C    3.516500      -2.945900       1.207000    
 C    2.517100      -3.285800     -0.9661000    
 C    3.228200      -3.780400      0.1272000    
 C   -5.286400       1.016000     -0.7843000    
 C   -4.914100     -0.9057000      0.6317000    
 C   -6.200200      0.2819000      -1.540500    
 C   -5.827900      -1.639900     -0.1244000    
 C   -6.471000      -1.046000      -1.210500    
 H   0.6028000      5.2099999E-02   1.781500    
 H  -0.2162000      -1.529000      9.7099997E-02
 H  -0.5456000     -0.2297000      -1.054900    
 H  -2.7400000E-02   2.316400     -0.2033000    
 H   0.6701000       2.510800       1.396700    
 H    1.454600       1.935000      -1.348700    
 H    1.123600      0.3611000      -2.011500    
 H   -2.502600     -0.9464000     -3.0999999E-02
 H   -1.889900     -0.7292000       1.620300    
 H   -1.371400       1.641800       2.414000    
 H   -1.715600       2.978300       1.311100    
 H    3.054400       1.450200      -3.005900    
 H    3.606200     -1.6700000E-02  -2.195100    
 H   -3.977500       2.260600       1.101000    
 H   -3.721600      0.8922000       2.161700    
 H    4.531700       2.428300      0.6829000    
 H    3.323500      -1.004100       2.058400    
 H    1.532400      -1.632600      -1.847000    
 H    4.066900      -3.332700       2.059800    
 H    2.289500      -3.937300      -1.804800    
 H    3.555800      -4.815800      0.1384000    
 H   -5.081500       2.048800      -1.051500    
 H   -4.433900      -1.377700       1.484200    
 H   -6.700600      0.7440000      -2.386400    
 H   -6.041500      -2.672800      0.1346000    
 H   -7.183000      -1.617500      -1.798800    


%chk=000030844-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030844

0 1
O 2.811903 1.403237 2.026893
O 5.273625 2.634047 -1.673128
N -2.372552 0.843780 0.762084
N 3.958874 1.968059 0.114213
C 0.543214 0.423652 0.574433
C 1.978446 0.407767 -0.093750
C -0.471699 -0.509212 -0.130316
C -0.086404 1.835418 0.701178
C 1.953114 0.990515 -1.535010
C -1.811058 -0.523633 0.633134
C -1.427875 1.750972 1.457515
C 2.531000 -1.048972 -0.036865
C 2.916388 1.283940 0.774647
C 3.359275 1.157309 -2.146847
C -3.717214 0.845608 1.385211
C 4.280571 1.979394 -1.262798
C 2.968127 -1.591812 1.201624
C 2.536535 -1.897263 -1.175026
C -4.797975 0.248803 0.487568
C 3.407992 -2.929750 1.294332
C 2.975392 -3.237439 -1.083670
C 3.416984 -3.761210 0.151266
C -4.795644 0.502637 -0.907590
C -5.847566 -0.525303 1.040024
C -5.825143 -0.002842 -1.731286
C -6.882852 -1.029337 0.218736
C -6.875251 -0.768916 -1.170715
H 0.696553 0.045179 1.606206
H -0.081197 -1.541404 -0.189805
H -0.664107 -0.158409 -1.163233
H -0.285863 2.266411 -0.298777
H 0.589653 2.516980 1.249042
H 1.458186 1.978025 -1.505710
H 1.333778 0.357909 -2.192842
H -2.544536 -1.152725 0.097981
H -1.650494 -0.984869 1.644123
H -1.229668 1.410569 2.508336
H -1.888638 2.755079 1.518089
H 3.319863 1.651710 -3.132316
H 3.843007 0.173352 -2.300792
H -3.972769 1.903281 1.600421
H -3.723308 0.312631 2.371071
H 4.579103 2.516898 0.723939
H 2.966563 -0.963076 2.098912
H 2.184432 -1.530571 -2.144941
H 3.743900 -3.321815 2.260830
H 2.968094 -3.870413 -1.978243
H 3.759814 -4.799268 0.222291
H -3.969426 1.087670 -1.327161
H -5.854394 -0.736873 2.117040
H -5.811879 0.200107 -2.808575
H -7.688488 -1.627022 0.660508
H -7.675085 -1.160604 -1.809451


