%chk=000036507.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036507

0 1
 O   -1.039500     -5.2299999E-02 -0.6420000    
 O   0.2812000      -1.789400      4.2599998E-02
 N   -3.985800      0.2644000      0.3938000    
 N    1.166000      0.3223000     -0.4456000    
 C   -2.182200     -0.8937000     -0.5574000    
 C   -2.389600      -1.358200      0.8830000    
 C   -3.433900     -9.8999999E-02 -0.9149000    
 C   -3.804700     -0.9209000       1.230200    
 C   -5.377800      0.6816000      0.3142000    
 C   -5.528100       1.934100     -0.5326000    
 C   0.1668000     -0.6220000     -0.3104000    
 C    2.550500      0.1645000     -0.2085000    
 C    3.314900       1.241600      0.2139000    
 C    3.119200      -1.084800     -0.4080000    
 C    4.679600       1.065600      0.4424000    
 C    2.715600       2.593000      0.4329000    
 C    4.483900      -1.260900     -0.1794000    
 C    5.264100     -0.1857000      0.2457000    
 H   -2.060900      -1.736700      -1.248300    
 H   -1.682200     -0.8925000       1.579400    
 H   -2.291400      -2.445100      0.9732000    
 H   -3.195700      0.7818000      -1.519600    
 H   -4.129200     -0.7429000      -1.468700    
 H   -4.516000      -1.715600      0.9706000    
 H   -3.906200     -0.6949000       2.296400    
 H   -6.019400     -0.1119000     -8.9100003E-02
 H   -5.742400      0.9085000       1.323400    
 H   -4.864100       2.733400     -0.1858000    
 H   -5.322100       1.744700      -1.590800    
 H   -6.556200       2.305800     -0.4649000    
 H   0.8374000       1.275300     -0.5752000    
 H    2.551800      -1.936200     -0.7692000    
 H    5.302700       1.892500      0.7727000    
 H    1.886200       2.537500       1.145900    
 H    3.445200       3.298600      0.8455000    
 H    2.356600       3.010300     -0.5135000    
 H    4.941000      -2.233000     -0.3397000    
 H    6.327100     -0.3224000      0.4216000    


%chk=000036507-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036507

0 1
O -0.987880 0.002710 -0.241498
O 0.395118 -1.903114 -0.408930
N -4.205036 0.185709 0.392779
N 1.241726 0.296260 -0.093569
C -2.186789 -0.879491 -0.354432
C -2.603446 -1.442300 1.034375
C -3.374032 -0.012306 -0.823530
C -4.104557 -1.094338 1.142509
C -5.587114 0.640575 0.141103
C -5.640892 2.046731 -0.482953
C 0.255969 -0.662813 -0.260097
C 2.652721 0.111284 -0.059004
C 3.462394 1.274959 0.134927
C 3.249773 -1.167312 -0.208656
C 4.866065 1.112989 0.173260
C 2.836932 2.651019 0.296558
C 4.654093 -1.291953 -0.164916
C 5.471068 -0.155936 0.025903
H -1.931956 -1.678875 -1.070004
H -2.034904 -0.901667 1.810388
H -2.394511 -2.519519 1.131733
H -3.027671 0.944965 -1.246651
H -3.938197 -0.562808 -1.621037
H -4.727861 -1.902267 0.676621
H -4.442797 -0.963284 2.185468
H -6.137460 -0.081476 -0.520973
H -6.117214 0.651752 1.112719
H -5.103312 2.768773 0.156418
H -5.178596 2.063282 -1.486389
H -6.688542 2.381809 -0.590617
H 0.886656 1.247911 0.015670
H 2.611631 -2.041024 -0.355574
H 5.493250 2.000330 0.321578
H 2.169152 2.706692 1.180049
H 3.616865 3.417771 0.434070
H 2.244083 2.948629 -0.592076
H 5.106316 -2.283139 -0.281165
H 6.561354 -0.253128 0.059741


