%chk=000138438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138438

0 1
 O    2.763200       1.454300      0.1402000    
 N   -3.358900     -0.4119000      0.4250000    
 C    5.892500     -0.6175000      0.3167000    
 C    7.311300     -0.4687000     -0.2399000    
 C    4.966700      0.5370000     -6.2899999E-02
 C    8.230900      -1.636400      0.1194000    
 C    3.578900      0.3616000      0.5396000    
 C    9.644500      -1.406700     -0.3938000    
 C    1.417900       1.214600      3.1599998E-02
 C   0.6639000       1.932700     -0.8892000    
 C   0.8221000      0.2563000      0.8433000    
 C   -1.310400      0.7285000     -0.1892000    
 C  -0.7051000       1.688800     -0.9999000    
 C  -0.5467000      1.2400000E-02  0.7325000    
 C   -2.737500      0.4737000     -0.3047000    
 C   -4.740000     -0.5510000      0.2063000    
 C   -5.201800      -1.462000     -0.7388000    
 C   -5.636200      0.2254000      0.9347000    
 C   -6.572700      -1.598000     -0.9575000    
 C   -7.007100      8.9299999E-02  0.7163000    
 C   -7.475400     -0.8224000     -0.2299000    
 H    5.463300      -1.559500     -4.6799999E-02
 H    5.945400     -0.6952000       1.409800    
 H    7.744800      0.4648000      0.1404000    
 H    7.261200     -0.3718000      -1.331600    
 H    5.392000       1.490400      0.2743000    
 H    4.885800      0.6132000      -1.154300    
 H    8.260400      -1.764300       1.207600    
 H    7.834800      -2.565300     -0.3066000    
 H    3.177900     -0.5957000      0.1814000    
 H    3.644000      0.3430000       1.633700    
 H    10.07900     -0.5021000      4.3499999E-02
 H    9.653700      -1.301000      -1.483300    
 H    10.28560      -2.253500     -0.1291000    
 H    1.131600       2.681100      -1.522600    
 H    1.375000     -0.3020000       1.592400    
 H   -1.286900       2.255000      -1.722800    
 H  -0.9927000     -0.7369000       1.381200    
 H   -3.292700       1.072300      -1.051600    
 H   -4.505600      -2.070400      -1.309900    
 H   -5.280100      0.9380000       1.673900    
 H   -6.937500      -2.307800      -1.694200    
 H   -7.710000      0.6932000       1.282700    
 H   -8.542900     -0.9283000     -0.4001000    


%chk=000138438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138438

0 1
O 2.773989 0.742122 -0.895189
N -3.568813 -0.240837 0.319023
C 6.105518 -0.652867 0.341973
C 7.570248 -0.356017 -0.051799
C 5.089972 0.196820 -0.456518
C 8.595935 -1.200634 0.737971
C 3.644898 -0.122004 -0.069885
C 10.055944 -0.907705 0.329997
C 1.389747 0.630073 -0.737699
C 0.611349 1.484891 -1.560879
C 0.752072 -0.261944 0.169178
C -1.446844 0.558604 -0.576559
C -0.788989 1.445839 -1.476995
C -0.651603 -0.290385 0.241407
C -2.913024 0.536231 -0.511338
C -4.987082 -0.307874 0.308499
C -5.771212 -0.226753 -0.880555
C -5.643414 -0.531338 1.550840
C -7.176183 -0.338279 -0.814448
C -7.048375 -0.624943 1.610879
C -7.823479 -0.527703 0.429438
H 5.897892 -1.731677 0.181255
H 5.975466 -0.467564 1.428798
H 7.782717 0.721622 0.107693
H 7.702640 -0.541753 -1.137979
H 5.278461 1.273749 -0.283826
H 5.217538 0.017750 -1.541311
H 8.467941 -1.009462 1.823040
H 8.376846 -2.277161 0.583966
H 3.404848 -1.186973 -0.270198
H 3.462268 0.088901 1.004357
H 10.310444 0.155231 0.501989
H 10.217533 -1.121037 -0.743531
H 10.769378 -1.523412 0.907851
H 1.127180 2.161532 -2.248566
H 1.338918 -0.925451 0.810723
H -1.387230 2.109090 -2.114336
H -1.165610 -0.967887 0.931031
H -3.435444 1.239324 -1.196520
H -5.275460 -0.115642 -1.852340
H -5.027894 -0.619935 2.451881
H -7.767626 -0.287900 -1.736049
H -7.540738 -0.784380 2.576888
H -8.914523 -0.615064 0.475642


