%chk=000042102.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042102

0 1
 O    3.234300       2.090200     -1.3900000E-02
 N   -2.283200       1.470300     -7.7500001E-02
 N   0.6409000      -2.732500     -0.2858000    
 N   -3.611200     -0.3745000      3.2699998E-02
 C  -0.5071000      -1.119100      0.7171000    
 C   -1.584800     -0.3944000       1.420000    
 C   0.7473000     -0.5851000      0.3097000    
 C   -2.528900      0.2364000      0.4437000    
 C    1.448300      -1.617800     -0.3169000    
 C   -3.310800       1.823300      -1.009800    
 C  -0.5430000      -2.440900      0.3372000    
 C   -4.236000      0.6009000     -0.9132000    
 C    1.355700      0.6815000      0.4140000    
 C    2.732200      -1.446500     -0.8463000    
 C    2.639600      0.8676000     -0.1112000    
 C    3.315400     -0.1814000     -0.7312000    
 C    2.491200       3.122000      0.6314000    
 H   -2.150500      -1.079300       2.063100    
 H   -1.173800      0.3846000       2.072100    
 H   -2.907500       1.940300      -2.019900    
 H   -3.825500       2.742500     -0.7155000    
 H   -1.303400      -3.200800      0.4523000    
 H   -5.224200      0.8868000     -0.5373000    
 H   -4.365300      0.1293000      -1.893000    
 H   -1.485500       2.058900      0.1283000    
 H   0.8872000      -3.635000     -0.6680000    
 H   0.7881000       1.460700      0.9071000    
 H    3.259100      -2.262600      -1.329200    
 H    4.312700     -2.1100000E-02  -1.134300    
 H    3.112700       4.023500      0.6188000    
 H    2.298600       2.883300       1.682900    
 H    1.573100       3.361200      8.3800003E-02


%chk=000042102-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042102

0 1
O 3.167535 2.224622 0.082988
N -2.068070 1.039433 -0.495196
N 0.798941 -2.813108 -0.399296
N -3.916276 0.160564 0.569790
C -0.514263 -1.275899 0.671543
C -1.685896 -0.632200 1.378775
C 0.736699 -0.637442 0.295257
C -2.600574 0.175752 0.473700
C 1.539337 -1.623603 -0.374923
C -3.177040 1.592194 -1.309716
C -0.432854 -2.599241 0.232809
C -4.423183 1.142036 -0.455329
C 1.245977 0.682285 0.474423
C 2.829123 -1.325888 -0.871196
C 2.533779 0.969679 -0.022093
C 3.317176 -0.022113 -0.691410
C 2.434230 3.286032 0.770495
H -2.321902 -1.388132 1.867518
H -1.314186 0.036105 2.181918
H -3.189813 1.151045 -2.327440
H -3.106021 2.690276 -1.406370
H -1.167003 -3.397797 0.324648
H -4.881966 2.001245 0.069951
H -5.206755 0.668051 -1.071742
H -1.115142 0.942366 -0.847830
H 1.113317 -3.696097 -0.794420
H 0.651775 1.435821 1.000466
H 3.439820 -2.078929 -1.381206
H 4.307987 0.267465 -1.053492
H 3.096771 4.163624 0.740133
H 2.222736 3.014356 1.823868
H 1.481439 3.519801 0.254576


