%chk=000040439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040439

0 1
 N   -1.918300      -3.350100      0.4817000    
 C   0.8215000     -0.7179000      0.4901000    
 C    1.334000       1.233300      -1.065400    
 C   0.2231000      0.2613000     -0.5786000    
 C    2.614700      0.9771000       1.099300    
 C    3.029100     -0.6241000     -0.7921000    
 C    1.525200      3.8600001E-02   1.643000    
 C    1.925900      -1.547000     -0.2377000    
 C    2.004100       1.976700      0.1049000    
 C    2.418900      0.3919000      -1.774900    
 C    3.678100      0.1366000      0.3741000    
 C  -0.2362000      -1.678800       1.049100    
 C   -1.107800      0.9483000     -0.2884000    
 C  -0.9071000      -2.457800     -7.2499998E-02
 C   -1.366500       1.440500      0.9868000    
 C   -2.052700       1.077900      -1.301200    
 C   -2.583100       2.068900       1.252200    
 C   -3.269300       1.706500      -1.035700    
 C   -3.534500       2.201900      0.2410000    
 C   -2.599100      -4.084100     -0.5758000    
 H   0.9251000       1.961700      -1.775900    
 H   1.1000000E-03 -0.3589000      -1.460800    
 H    3.083100       1.518500       1.929100    
 H    3.787900      -1.224100      -1.306900    
 H    2.009800     -0.6991000       2.300000    
 H   0.8634000      0.5738000       2.317000    
 H    1.526200      -2.109800      -1.087400    
 H    2.368400      -2.280900      0.4482000    
 H    1.275300       2.614800      0.6168000    
 H    2.785800       2.645100     -0.2779000    
 H    3.204000       1.049700      -2.168300    
 H    1.988000     -0.1321000      -2.636800    
 H    4.479800      0.7854000      5.0000002E-04
 H    4.142200     -0.5702000       1.072900    
 H  -0.9852000      -1.143800       1.643100    
 H   0.2408000      -2.384500       1.743400    
 H  -0.1849000      -3.077700     -0.6093000    
 H   -1.397000      -1.798300     -0.7916000    
 H  -0.6717000       1.413000       1.803400    
 H   -1.859200      0.7000000      -2.301200    
 H   -2.602800      -2.807700       1.008300    
 H   -2.787200       2.463500       2.243500    
 H   -4.009800       1.811200      -1.823300    
 H   -4.480900       2.693300      0.4471000    
 H   -1.898400      -4.703700      -1.144900    
 H   -3.121700      -3.410200      -1.262600    
 H   -3.343000      -4.753500     -0.1326000    


%chk=000040439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040439

0 1
N -1.979009 -3.443616 0.520129
C 0.861674 -0.764404 0.404567
C 1.381141 1.316379 -1.002233
C 0.257030 0.290924 -0.604253
C 2.641357 0.930557 1.167047
C 3.104726 -0.534673 -0.840487
C 1.553115 -0.075361 1.624587
C 1.992377 -1.514673 -0.375267
C 2.001645 2.001442 0.242629
C 2.491552 0.548454 -1.768283
C 3.742925 0.159899 0.391189
C -0.207145 -1.760442 0.932557
C -1.066969 0.979715 -0.256838
C -0.963545 -2.585577 -0.128796
C -1.358064 1.634394 0.972194
C -2.070267 1.021127 -1.266021
C -2.590835 2.295713 1.177631
C -3.300828 1.685002 -1.070717
C -3.569422 2.328279 0.159086
C -2.764334 -4.265584 -0.418837
H 0.935600 2.084679 -1.664782
H 0.046011 -0.280545 -1.533576
H 3.085191 1.422090 2.055875
H 3.880924 -1.101709 -1.392441
H 2.018491 -0.865372 2.250284
H 0.807462 0.424660 2.270480
H 1.570724 -2.036454 -1.257512
H 2.427935 -2.293719 0.284264
H 1.233184 2.579460 0.790680
H 2.773608 2.727084 -0.084366
H 3.281277 1.253506 -2.097508
H 2.070150 0.078876 -2.680148
H 4.540483 0.856628 0.063084
H 4.215441 -0.593282 1.053469
H -0.952764 -1.192589 1.528481
H 0.278097 -2.471632 1.631035
H -0.261081 -3.250544 -0.668340
H -1.419378 -1.905961 -0.892455
H -0.627422 1.636458 1.784957
H -1.874246 0.525925 -2.226153
H -2.584535 -2.888090 1.140576
H -2.784685 2.789593 2.137111
H -4.047037 1.698459 -1.873636
H -4.522324 2.844942 0.319883
H -2.100953 -5.002525 -0.909841
H -3.271014 -3.682203 -1.228430
H -3.537163 -4.830090 0.132823


