%chk=000016581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016581

0 1
 O   0.1348000     -0.5422000      0.8179000    
 O  -0.4638000     -7.9999998E-02  -1.392900    
 N   -3.111300     -4.4000000E-03 -0.5139000    
 C   -2.139400     -0.8007000      0.2322000    
 C   -2.880500       1.423300     -0.2940000    
 C   -4.474900     -0.3663000     -0.1274000    
 C   -2.405500      -2.282700      7.4000000E-03
 C  -0.7507000     -0.4269000     -0.2543000    
 C   -3.843200       2.267400      -1.111900    
 C   -4.726900     -6.7800000E-02   1.340800    
 C    1.450500     -0.2190000      0.4778000    
 C    1.869500       1.087700      0.6111000    
 C    2.283100      -1.218300      2.0700000E-02
 C    4.046800      0.4190000     -0.1945000    
 C    3.183100       1.410600      0.2707000    
 C    3.596800     -0.8954000     -0.3195000    
 C   0.9598000       2.162900       1.107200    
 C    1.819900      -2.631100     -0.1205000    
 C    5.451700      0.7639000     -0.5568000    
 H   -2.161900     -0.5763000       1.305400    
 H   -2.901900       1.723600      0.7595000    
 H   -1.887900       1.714900     -0.6518000    
 H   -5.212200      0.1632000     -0.7414000    
 H   -4.700500      -1.416000     -0.3432000    
 H   -1.534700      -2.874300      0.3155000    
 H   -3.252000      -2.654600      0.5929000    
 H   -2.574200      -2.514200      -1.051200    
 H   -3.894300       1.931200      -2.153400    
 H   -4.853500       2.280600     -0.6921000    
 H   -3.498300       3.307700      -1.124600    
 H   -4.100000     -0.6429000       2.026600    
 H   -4.662300      0.9929000       1.596500    
 H   -5.758500     -0.3600000       1.574700    
 H    3.536600       2.434500      0.3672000    
 H    4.273200      -1.665800     -0.6821000    
 H   0.3421000       1.806800       1.938400    
 H    1.524400       3.024000       1.481500    
 H   0.3085000       2.508600      0.2989000    
 H    2.658200      -3.319000     -0.2753000    
 H    1.299700      -2.961200      0.7850000    
 H    1.144900      -2.725200     -0.9771000    
 H    5.524500       1.793900     -0.9223000    
 H    6.102400      0.6548000      0.3164000    
 H    5.824800      0.1142000      -1.356000    


%chk=000016581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016581

0 1
O 0.152112 -0.313002 0.678352
O -0.539342 -0.407851 -1.562075
N -3.244590 -0.002214 -0.377785
C -2.176435 -0.782099 0.295079
C -3.014519 1.463800 -0.254813
C -4.630038 -0.436295 -0.063955
C -2.375971 -2.315082 0.176808
C -0.813935 -0.467849 -0.351871
C -3.956348 2.308646 -1.131104
C -5.096837 -0.247731 1.407040
C 1.532235 -0.081639 0.329528
C 2.036799 1.222875 0.540682
C 2.333318 -1.157447 -0.119055
C 4.261777 0.397346 -0.160787
C 3.412311 1.439112 0.287356
C 3.702640 -0.888882 -0.359685
C 1.127198 2.342957 1.006514
C 1.748268 -2.538110 -0.338104
C 5.741659 0.647576 -0.397432
H -2.072569 -0.521804 1.376694
H -3.077387 1.811312 0.808324
H -1.977710 1.658121 -0.587750
H -5.308700 0.119348 -0.734905
H -4.732938 -1.497291 -0.350651
H -1.485179 -2.840901 0.563227
H -3.242995 -2.653528 0.768566
H -2.524518 -2.595773 -0.880117
H -3.935077 1.941928 -2.172414
H -5.001317 2.290121 -0.772966
H -3.624941 3.363136 -1.126245
H -4.469584 -0.823730 2.112462
H -5.061540 0.814283 1.711199
H -6.139898 -0.596705 1.521908
H 3.825099 2.444028 0.440816
H 4.344686 -1.706376 -0.711040
H 0.582347 2.062358 1.925748
H 1.704125 3.261484 1.206587
H 0.363483 2.581149 0.241689
H 2.543063 -3.275175 -0.540868
H 1.178629 -2.878895 0.546284
H 1.053868 -2.537647 -1.198987
H 5.931059 1.689900 -0.709181
H 6.329763 0.468309 0.523890
H 6.144831 -0.020361 -1.178865


