%chk=000039836.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039836

0 1
 O   -2.462100       1.675700      0.1848000    
 O   -4.030500      0.4373000     -0.9623000    
 O    4.274500       2.071900      0.4074000    
 O    2.116600       1.677900      0.2282000    
 N   -3.710000      -1.675900      0.7116000    
 N    1.393200     -0.7870000     -0.2471000    
 N    3.625900      1.6500000E-02  1.1000000E-02
 N    3.310500      -2.195700     -0.3985000    
 N    3.301900       1.331900      0.2268000    
 C   -1.354500     -0.9161000      0.8563000    
 C  -0.9306000      -1.524300     -0.4897000    
 C   -2.838000     -0.5244000      0.9378000    
 C   0.5358000      -1.946900     -0.4975000    
 C   -3.200500      0.5533000     -6.9799997E-02
 C    2.674400     -0.9803000     -0.2152000    
 C   -2.706500       2.786400     -0.6841000    
 H   -1.136300      -1.637800       1.654700    
 H  -0.7401000     -3.2400001E-02   1.067900    
 H   -1.544300      -2.402500     -0.7193000    
 H   -1.097100     -0.7937000      -1.290400    
 H   -3.055300     -0.1272000       1.936600    
 H   0.7645000      -2.383800      -1.477000    
 H   0.6905000      -2.713300      0.2718000    
 H   -3.491000      -2.408100       1.386200    
 H   -4.679200      -1.411000      0.8842000    
 H   -2.464500       2.518800      -1.717000    
 H   -2.057600       3.609600     -0.3737000    
 H   -3.748400       3.109800     -0.6015000    
 H    4.598100     -0.2831000      7.6000001E-03
 H    4.321300      -2.270900     -0.3597000    
 H    2.800000      -3.052600     -0.5786000    


%chk=000039836-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039836

0 1
O -2.335691 1.645250 0.503565
O -3.740887 0.397869 -0.874557
O 4.487367 2.110650 -0.639598
O 4.471374 0.584866 1.080543
N -3.540393 -1.820345 0.973649
N 1.335206 -1.076452 -1.202921
N 2.986166 0.403187 -0.696991
N 2.601869 -1.372067 0.873758
N 4.033040 1.061239 -0.046824
C -1.137044 -1.176619 0.686471
C -1.005560 -1.806009 -0.715778
C -2.582114 -0.707624 1.036628
C 0.446679 -2.240572 -1.039793
C -2.974180 0.468221 0.114125
C 2.245290 -0.773157 -0.316297
C -2.584578 2.834621 -0.350935
H -0.858399 -1.925948 1.452922
H -0.452434 -0.312694 0.780657
H -1.654543 -2.700669 -0.785335
H -1.332997 -1.092346 -1.495542
H -2.555591 -0.318274 2.070303
H 0.442148 -2.782540 -2.004138
H 0.784307 -2.969584 -0.263988
H -4.379141 -1.666834 1.543137
H -3.799894 -2.061277 0.009546
H -2.256510 2.634509 -1.384650
H -1.991262 3.638259 0.106619
H -3.659071 3.083132 -0.352850
H 2.706252 0.828997 -1.586343
H 3.373573 -0.979521 1.419981
H 2.087717 -2.186170 1.196134


