%chk=000005722.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005722

0 1
 O    2.057600       1.018700      0.5501000    
 O   -2.117300       1.947400       1.676900    
 N   -1.187600      -1.273000     -0.5704000    
 N   -3.556200      -1.241100      -1.194700    
 N  -0.4934000      0.4512000      0.9682000    
 N   -4.576400     -0.4093000     -0.7255000    
 N   -4.037700      0.5582000      0.1093000    
 C    1.091500      -1.142000      0.1596000    
 C    2.202700     -0.3181000      0.3275000    
 C  -0.2597000     -0.5940000      0.2171000    
 C    2.646600       1.901300     -0.4025000    
 C    1.839700       3.190000     -0.4432000    
 C   -2.406500     -0.8746000     -0.5853000    
 C   -2.782500      0.2787000      0.2281000    
 C    1.258200      -2.506400     -6.8400003E-02
 C    3.486100     -0.8611000      0.2668000    
 C   -1.763800      0.9736000       1.028000    
 C    2.541500      -3.049400     -0.1290000    
 C    3.655500      -2.226700      3.8500000E-02
 C    2.401600       4.176600      -1.451100    
 H    2.659000       1.443700      -1.400200    
 H    3.678800       2.110700     -9.9299997E-02
 H   0.7955000       2.962400     -0.6893000    
 H    1.821500       3.644700      0.5545000    
 H   0.4117000      -3.177100     -0.1888000    
 H    4.363600     -0.2351000      0.4041000    
 H    2.673900      -4.113300     -0.3029000    
 H   -3.714500      -2.023100      -1.816200    
 H    4.654600      -2.650100     -6.0000001E-03
 H    2.389200       3.755500      -2.461400    
 H    1.804000       5.093400      -1.458200    
 H    3.433400       4.445600      -1.203200    
 H   -5.257100     -0.9573000     -0.2009000    


%chk=000005722-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005722

0 1
O 1.729752 1.115779 -0.472679
O -2.367257 2.213212 1.056719
N -1.459057 -1.701658 -0.266433
N -3.887280 -1.967100 -0.408563
N -0.784488 0.561933 0.487143
N -4.945189 -1.038716 -0.273578
N -4.502693 0.162224 0.205828
C 0.900807 -1.123809 -0.081398
C 2.009545 -0.226112 -0.268795
C -0.509565 -0.681021 0.054555
C 2.845788 2.074174 -0.611663
C 2.209630 3.458623 -0.756992
C -2.706597 -1.270748 -0.150292
C -3.149694 0.058801 0.253300
C 1.176706 -2.517199 0.006723
C 3.334749 -0.741101 -0.291262
C -2.106090 1.049711 0.633719
C 2.488866 -3.023445 -0.024484
C 3.571004 -2.124048 -0.163227
C 3.280063 4.564628 -0.881964
H 3.455924 1.815985 -1.503598
H 3.491141 2.025245 0.290182
H 1.551297 3.457041 -1.645229
H 1.559325 3.640020 0.117408
H 0.319918 -3.187711 0.113543
H 4.183066 -0.063908 -0.421179
H 2.667597 -4.099732 0.063588
H -4.005802 -2.845031 -0.915626
H 4.601473 -2.497062 -0.181419
H 3.924128 4.409038 -1.768463
H 2.803487 5.555473 -0.983387
H 3.933239 4.597128 0.010613
H -5.900293 -1.350616 -0.090890


