%chk=000102682.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102682

0 1
 O  -0.2746000      0.7455000       0.000000    
 O   -1.706500       2.085000      -1.213300    
 N   -3.443000       1.927200      0.9225000    
 C   -2.437200      -1.655400     -0.1344000    
 C   -3.296800     -0.4035000      0.1406000    
 C   -2.527400      0.8068000      0.6888000    
 C   -1.716700      -2.078700       1.149200    
 C   -3.264000      -2.826100     -0.6679000    
 C   -1.487700       1.296100     -0.3024000    
 C   0.8121000       1.147000     -0.8401000    
 C    2.065100      0.4607000     -0.3816000    
 C    2.873400       1.068700      0.5726000    
 C    2.406600     -0.7774000     -0.9144000    
 C    4.038200      0.4307000      0.9991000    
 C    3.571300      -1.415400     -0.4877000    
 C    4.387100     -0.8113000      0.4691000    
 H   -1.682700      -1.416900     -0.8936000    
 H   -3.795000     -0.1226000     -0.7979000    
 H   -4.096700     -0.6699000      0.8450000    
 H   -2.048300      0.5822000       1.646900    
 H   -1.178900      -3.020800      0.9936000    
 H  -0.9724000      -1.345300       1.469300    
 H   -2.424200      -2.231900       1.971300    
 H   -3.773300      -2.546100      -1.595900    
 H   -2.626300      -3.690000     -0.8830000    
 H   -4.025400      -3.136400      5.5599999E-02
 H   -2.938700       2.694000       1.366500    
 H   -4.166400       1.644200       1.582600    
 H   0.9362000       2.236100     -0.7902000    
 H   0.5930000      0.8797000      -1.881400    
 H    2.609900       2.034900      0.9940000    
 H    1.776800      -1.258200      -1.657900    
 H    4.673000      0.9007000       1.744600    
 H    3.842600      -2.383100     -0.8996000    
 H    5.293700      -1.308300      0.8016000    


%chk=000102682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102682

0 1
O -0.246789 0.990355 0.330074
O -1.795642 1.795419 -1.224231
N -3.575999 1.733718 1.219119
C -2.456680 -1.703336 -0.230696
C -3.345559 -0.517205 0.226043
C -2.600377 0.689722 0.853561
C -1.636765 -2.309329 0.934390
C -3.338230 -2.784809 -0.899846
C -1.545161 1.217540 -0.139193
C 0.877328 1.431138 -0.566803
C 2.109581 0.638549 -0.202847
C 3.302420 1.300901 0.175994
C 2.097568 -0.778992 -0.263780
C 4.469043 0.562707 0.482136
C 3.257831 -1.517953 0.049449
C 4.449193 -0.848799 0.420205
H -1.744669 -1.329176 -0.998389
H -3.923141 -0.145355 -0.645250
H -4.077505 -0.863776 0.980958
H -2.075236 0.369007 1.768318
H -1.068343 -3.194743 0.592237
H -0.912017 -1.586733 1.350178
H -2.306717 -2.637593 1.752685
H -3.909767 -2.368974 -1.750551
H -2.723094 -3.621810 -1.279319
H -4.064100 -3.201785 -0.174998
H -3.190409 2.479732 1.808293
H -4.073290 2.112930 0.404328
H 1.025086 2.515058 -0.416478
H 0.550175 1.266758 -1.610315
H 3.320035 2.396253 0.234192
H 1.173647 -1.298614 -0.543968
H 5.386368 1.086923 0.772208
H 3.237055 -2.612518 0.003444
H 5.350959 -1.423010 0.660453


