%chk=000018856.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018856

0 1
 O    3.144800      0.9805000      1.4000000E-03
 N    1.979300      -1.046200     -5.0000002E-04
 C   0.6289000     -0.5276000      6.0000003E-04
 C   -1.827100      -1.141700     -2.0000001E-03
 C   -1.044000      0.8943000       1.260900    
 C   -1.040100      0.8964000      -1.260400    
 C  -0.3894000      -1.689400     -3.0000001E-04
 C   0.3905000      0.3384000       1.257400    
 C   0.3945000      0.3409000      -1.254300    
 C   -2.040200     -0.2773000       1.252100    
 C   -2.036400     -0.2755000      -1.255700    
 C   -1.257200       1.750100      6.0000003E-04
 C    3.096400     -0.2428000       0.000000    
 H   -2.540000      -1.973600     -3.5999999E-03
 H   -1.201900       1.506800       2.155700    
 H   -1.196000       1.510100      -2.154600    
 H  -0.2363000      -2.330100      0.8782000    
 H  -0.2346000      -2.329800     -0.8787000    
 H    1.089000       1.181000       1.310700    
 H   0.5606000     -0.2569000       2.164500    
 H   0.5668000     -0.2522000      -2.162300    
 H    1.092500       1.184000      -1.304200    
 H   -3.068200      0.1051000       1.272900    
 H   -1.909100     -0.8874000       2.154300    
 H   -1.902600     -0.8844000      -2.158200    
 H   -3.064200      0.1068000      -1.279000    
 H   -2.271300       2.168300     -5.0000002E-04
 H  -0.5626000       2.599100      2.4000001E-03
 H    2.114400      -2.053300     -1.5000000E-03
 H    4.012800     -0.8557000     -1.0000000E-03


%chk=000018856-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018856

0 1
O 3.264710 0.941205 0.003278
N 2.007839 -1.050262 0.000861
C 0.629968 -0.490751 0.000175
C -1.829129 -1.151974 -0.002347
C -1.073003 0.909949 1.267808
C -1.070909 0.912109 -1.267811
C -0.369747 -1.681842 -0.001608
C 0.386026 0.376818 1.270765
C 0.388123 0.378911 -1.269291
C -2.063865 -0.285849 1.267324
C -2.061771 -0.283701 -1.270927
C -1.304101 1.778869 0.000547
C 3.178956 -0.318683 0.002848
H -2.523873 -2.015419 -0.003710
H -1.230747 1.525519 2.175448
H -1.227221 1.529153 -2.174693
H -0.197561 -2.314537 0.895218
H -0.196189 -2.313185 -0.899136
H 1.109827 1.212717 1.285830
H 0.568213 -0.241190 2.173887
H 0.571792 -0.237543 -2.173176
H 1.111991 1.214814 -1.281724
H -3.109717 0.082152 1.283816
H -1.918540 -0.899350 2.180381
H -1.914853 -0.895644 -2.184779
H -3.107598 0.084327 -1.288545
H -2.337016 2.183594 0.000080
H -0.611866 2.644750 0.001886
H 2.102507 -2.070131 0.000118
H 4.077053 -0.986927 0.002375


