%chk=000075855.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075855

0 1
 O    1.278200     -0.3966000      0.3938000    
 O   -2.143300      -2.280900      -1.781000    
 O   -4.048100      -2.507800     -0.5822000    
 O   -4.639800       2.295600      0.9777000    
 O  -3.1300001E-02 -0.8833000       2.216800    
 N  -0.8975000     -0.8553000      6.4300001E-02
 N   -4.487800       2.960500      -1.220800    
 C   -2.261100      -1.197400      0.3821000    
 C   -3.095700      5.2499998E-02  0.6862000    
 C   -3.346100      0.9431000     -0.5341000    
 C   -2.919500      -2.041800     -0.6972000    
 C   -4.224000       2.118600     -0.1647000    
 C   0.1028000     -0.7269000       1.007600    
 C    2.408400     -0.2305000       1.257500    
 C    3.608200      0.1275000      0.4306000    
 C    4.424000     -0.8804000     -7.1400002E-02
 C    3.893300       1.463800      0.1733000    
 C    5.539200     -0.5478000     -0.8402000    
 C    5.008500       1.796400     -0.5958000    
 C    5.831500      0.7905000      -1.102500    
 H   -2.229900      -1.825600       1.281400    
 H   -2.604800      0.6392000       1.473800    
 H   -4.063800     -0.2653000       1.096400    
 H   -3.850000      0.3865000      -1.331800    
 H   -2.399700       1.328300     -0.9296000    
 H  -0.6557000     -0.6869000     -0.9077000    
 H    2.202000      0.5611000       1.988700    
 H    2.592200      -1.160700       1.809400    
 H    4.204400      -1.926300      0.1248000    
 H    3.257900       2.255300      0.5612000    
 H   -4.125100       2.789400      -2.153200    
 H   -5.062000       3.788000      -1.098700    
 H   -2.599100      -2.845100      -2.441300    
 H    6.179700      -1.331000      -1.235300    
 H    5.235900       2.838500     -0.8007000    
 H    6.699600       1.049500      -1.701500    


%chk=000075855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000075855

0 1
O 1.273417 -0.455021 0.314022
O -2.238797 -2.191717 -1.955042
O -4.109955 -2.642154 -0.653761
O -3.563043 2.837043 0.989708
O -0.188411 -0.697410 2.156387
N -0.908744 -0.971186 -0.060553
N -4.708219 2.918581 -1.023699
C -2.291444 -1.285584 0.309568
C -3.146145 -0.020353 0.636391
C -3.301449 0.939275 -0.559816
C -2.985873 -2.113797 -0.766258
C -3.863314 2.298349 -0.115280
C 0.027282 -0.708385 0.915471
C 2.379760 -0.153166 1.284170
C 3.611418 0.170304 0.475264
C 4.508624 -0.857119 0.089010
C 3.887913 1.505905 0.088421
C 5.658635 -0.557648 -0.674614
C 5.037118 1.809798 -0.674869
C 5.925137 0.777572 -1.058248
H -2.276565 -1.898390 1.232240
H -2.654575 0.515177 1.466716
H -4.136767 -0.355095 0.993973
H -3.935897 0.496300 -1.352011
H -2.302301 1.127670 -1.002597
H -0.613964 -1.043562 -1.035278
H 2.055334 0.690373 1.918689
H 2.518990 -1.040041 1.927741
H 4.302773 -1.892546 0.386343
H 3.199875 2.306630 0.385548
H -4.973195 2.482559 -1.904862
H -5.080445 3.839330 -0.790658
H -2.732661 -2.735531 -2.625993
H 6.346023 -1.359418 -0.966445
H 5.241945 2.845867 -0.966501
H 6.819018 1.012089 -1.647278


