%chk=000049009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049009

0 1
 O  -0.8789000      0.3720000     -8.0499999E-02
 O   -2.041900       2.347000     -1.0000000E-03
 N    2.767100      0.8725000     -0.2310000    
 C    3.912800     -1.8500000E-02 -0.2710000    
 C    5.240800      0.7291000     -0.2781000    
 C    4.031700     -0.8823000      0.9787000    
 C    6.255500     -0.3360000      0.1291000    
 C    5.476000      -1.374500      0.9404000    
 C    1.518100      0.1207000     -0.2146000    
 C   0.3432000       1.096800     -0.1422000    
 C    1.432200     -0.7815000      -1.446000    
 C   -2.027100       1.120500     -1.1300000E-02
 C   -3.213700      0.2656000      4.8300002E-02
 C   -4.347300      0.7082000      0.7201000    
 C   -3.195600     -0.9805000     -0.5678000    
 C   -5.478300     -0.1063000      0.7768000    
 C   -4.326600      -1.795000     -0.5112000    
 C   -5.467900      -1.357800      0.1612000    
 H    3.916500     -0.6455000      -1.170400    
 H    5.241500       1.537500      0.4644000    
 H    5.473500       1.170200      -1.252600    
 H    3.333100      -1.724400      0.9960000    
 H    3.872000     -0.2891000       1.888400    
 H    7.078600      9.7700000E-02  0.7059000    
 H    6.689700     -0.8094000     -0.7591000    
 H    5.534500      -2.350900      0.4455000    
 H    5.883600      -1.492600       1.949600    
 H    2.790500       1.494900      -1.038600    
 H    1.447000     -0.5136000      0.6772000    
 H   0.4328000       1.723000      0.7545000    
 H   0.3315000       1.747300      -1.026300    
 H    2.101400      -1.645200      -1.382400    
 H    1.651900     -0.2328000      -2.369100    
 H   0.4250000      -1.199200      -1.555400    
 H   -4.369300       1.679600       1.206700    
 H   -2.325400      -1.341400      -1.109300    
 H   -6.366900      0.2338000       1.300700    
 H   -4.320000      -2.768400     -0.9930000    
 H   -6.348800      -1.991800      0.2048000    


%chk=000049009-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049009

0 1
O -0.871864 0.194073 0.081850
O -1.970682 2.224205 0.411388
N 2.806274 0.681127 -0.301080
C 4.026973 -0.156468 -0.289650
C 5.308354 0.712318 -0.323226
C 4.210980 -0.967083 1.019816
C 6.438563 -0.235247 0.169871
C 5.725220 -1.326461 1.045144
C 1.506292 -0.022073 -0.454895
C 0.435355 0.909217 0.137528
C 1.173889 -0.437033 -1.909934
C -2.016694 0.979690 0.242261
C -3.268662 0.168279 0.184116
C -4.507867 0.848539 0.310093
C -3.249316 -1.240048 0.009117
C -5.717791 0.126698 0.259044
C -4.462764 -1.958378 -0.040871
C -5.697630 -1.277904 0.083014
H 4.061984 -0.868536 -1.153409
H 5.164357 1.553624 0.382527
H 5.514101 1.138219 -1.323113
H 3.566850 -1.863099 1.078677
H 3.944570 -0.301794 1.863218
H 7.205691 0.318018 0.739933
H 6.953628 -0.705300 -0.688061
H 5.896299 -2.332200 0.618800
H 6.113834 -1.347515 2.078672
H 2.889610 1.453361 -0.978572
H 1.550329 -0.929388 0.176493
H 0.666098 1.147273 1.189786
H 0.348492 1.855933 -0.428896
H 1.976333 -1.072563 -2.326892
H 1.071901 0.457712 -2.554896
H 0.224550 -0.998961 -1.957517
H -4.496670 1.935065 0.445993
H -2.288135 -1.753240 -0.082988
H -6.673124 0.653661 0.356044
H -4.448129 -3.045443 -0.175478
H -6.638401 -1.838577 0.043488


