%chk=000041016.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041016

0 1
 O    5.003100     -0.4951000     -0.2204000    
 O    4.087300      0.6297000       1.560400    
 N   -3.064600     -0.1220000     -0.7060000    
 N   -1.473300       1.609700     -0.3114000    
 N  -0.1845000       2.022100     -0.1755000    
 N    2.138600       1.543100     -0.1564000    
 N    3.151000      0.7221000     -0.5579000    
 C   -3.360400      -1.512400     -0.9776000    
 C   -4.152400      0.8228000     -0.5682000    
 C   -1.724500      0.3075000     -0.5632000    
 C  -0.7268000     -0.6380000     -0.6910000    
 C   -3.529500      -2.232700      0.3214000    
 C   -4.410200       1.053400      0.8861000    
 C   0.5846000     -0.2184000     -0.5527000    
 C   0.8114000       1.118800     -0.2957000    
 C   -4.653500      -2.859600      0.6870000    
 C   -5.578300      0.7998000       1.486900    
 C    6.035900     -0.9963000      0.6358000    
 C    4.079100      0.3176000      0.3737000    
 C    6.967000      -1.872200     -0.1752000    
 H   -2.647400      -2.016800      -1.636400    
 H   -4.298800      -1.569500      -1.546900    
 H   -3.918700       1.775400      -1.059300    
 H   -5.055800      0.4511000      -1.067800    
 H  -0.8738000      -1.694800     -0.8664000    
 H   -2.680300      -2.269800      0.9993000    
 H   -3.610900       1.477200       1.488900    
 H    1.372800     -0.9590000     -0.6362000    
 H    2.344000       2.520900     -6.0000003E-04
 H   -5.531800      -2.869200      5.1199999E-02
 H   -4.709600      -3.374900       1.639600    
 H   -5.707000       1.000900       2.544800    
 H   -6.420100      0.3887000      0.9409000    
 H    3.185800      0.4766000      -1.541100    
 H    5.586400      -1.583100       1.444500    
 H    6.595600     -0.1565000       1.062500    
 H    6.417800      -2.706600     -0.6238000    
 H    7.410300      -1.303700     -0.9995000    
 H    7.770000      -2.273000      0.4495000    


%chk=000041016-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041016

0 1
O 5.089963 -0.465507 -0.296335
O 3.554664 0.386018 1.286312
N -3.022815 0.024086 -0.458468
N -1.291347 1.627977 -0.339389
N 0.013983 2.005011 -0.454320
N 2.254341 1.635708 -0.963520
N 3.373655 0.815367 -1.031463
C -3.536708 -1.334873 -0.723442
C -3.993585 1.084481 -0.091841
C -1.666760 0.317925 -0.588060
C -0.688964 -0.667669 -0.957097
C -3.295742 -2.314742 0.417898
C -4.766230 0.771593 1.173301
C 0.643497 -0.272177 -1.087704
C 0.959920 1.090044 -0.829406
C -4.248647 -3.119227 0.947377
C -6.118500 0.812375 1.273904
C 5.849432 -1.121935 0.808332
C 3.959156 0.260565 0.108802
C 7.041948 -1.821353 0.164476
H -3.082116 -1.721710 -1.660696
H -4.621815 -1.254299 -0.910402
H -3.395908 2.005335 0.039989
H -4.700262 1.251695 -0.930831
H -0.964050 -1.710452 -1.130939
H -2.272546 -2.349540 0.818868
H -4.154348 0.521436 2.052221
H 1.424152 -0.986411 -1.363376
H 2.372250 2.570538 -0.559235
H -5.286150 -3.095338 0.590771
H -4.023636 -3.818671 1.760430
H -6.630767 0.618884 2.222530
H -6.751823 1.055968 0.410523
H 3.834010 0.689033 -1.934764
H 5.174011 -1.827724 1.324973
H 6.155234 -0.344921 1.531956
H 6.709133 -2.578651 -0.565855
H 7.691457 -1.096358 -0.355093
H 7.640411 -2.328681 0.942875


