%chk=000044714.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044714

0 1
 O    1.337400       1.945800      -1.534200    
 O   -2.272100      -3.159500     -0.1942000    
 N    3.004800      0.3212000      0.1668000    
 C    2.955000     -0.9605000     -0.5506000    
 C    3.875400      0.2354000       1.347800    
 C    4.349900      -1.393000      -1.005300    
 C    5.300200     -0.1581000      0.9554000    
 C    5.318600      -1.464500      0.1697000    
 C    1.658800      0.7439000      0.5532000    
 C   0.7751000      0.9476000     -0.6834000    
 C  -0.6216000       1.385200     -0.3002000    
 C   -1.647900      0.4592000     -0.1042000    
 C  -0.8300000       2.749800     -0.1544000    
 C   -2.932800      0.9331000      0.2528000    
 C   -1.441700     -0.9223000     -0.2506000    
 C   -2.093500       3.215800      0.1967000    
 C   -3.139000       2.314600      0.3993000    
 C   -3.973600      1.1700000E-02  0.4529000    
 C   -2.487300      -1.823500     -4.8000000E-02
 C   -3.750800      -1.357400      0.3032000    
 C   -3.384900      -4.024400      2.7200000E-02
 H    2.370200     -0.9010000      -1.471000    
 H    2.509600      -1.744800      7.5400002E-02
 H    3.480500     -0.4887000       2.072700    
 H    3.918100       1.209400       1.850400    
 H    4.731300     -0.6828000      -1.750200    
 H    4.293600      -2.371300      -1.495900    
 H    5.917400     -0.2596000       1.855200    
 H    5.747600      0.6395000      0.3487000    
 H    5.032900      -2.292700      0.8298000    
 H    6.332100      -1.673300     -0.1900000    
 H    1.199500      2.1100000E-02   1.240500    
 H    1.735400       1.699100       1.089900    
 H   0.6917000      7.0400000E-02  -1.322400    
 H  -3.4200002E-02   3.477400     -0.2852000    
 H    2.245600       1.670700      -1.746400    
 H  -0.4743000      -1.346900     -0.5010000    
 H   -2.265700       4.281400      0.3179000    
 H   -4.118100       2.701300      0.6743000    
 H   -4.969000      0.3548000      0.7279000    
 H   -4.606500      -2.001200      0.4754000    
 H   -3.740800      -3.965800       1.061400    
 H   -3.034100      -5.049400     -0.1319000    
 H   -4.185400      -3.844500     -0.6984000    


%chk=000044714-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044714

0 1
O 1.620059 1.787048 -1.287276
O -2.591711 -3.158556 -0.194104
N 2.946263 0.015145 0.182879
C 3.233681 -1.255550 -0.540810
C 3.865975 0.220286 1.335940
C 4.687580 -1.287311 -1.053451
C 5.334989 0.237772 0.867758
C 5.685127 -1.061264 0.106257
C 1.507159 0.175395 0.525296
C 0.757907 0.749776 -0.726780
C -0.603909 1.322515 -0.357928
C -1.735079 0.452467 -0.115933
C -0.756642 2.706867 -0.231931
C -3.001403 1.047976 0.277327
C -1.666721 -0.970217 -0.254107
C -2.005345 3.286585 0.154301
C -3.107861 2.471473 0.409958
C -4.122384 0.192207 0.519309
C -2.787159 -1.775967 -0.015056
C -4.034152 -1.194474 0.381968
C -3.736721 -4.044437 0.023501
H 2.529640 -1.340540 -1.388717
H 3.054444 -2.132189 0.131432
H 3.733128 -0.587336 2.099337
H 3.604185 1.179958 1.817863
H 4.816515 -0.493602 -1.814917
H 4.878058 -2.257886 -1.550176
H 5.996899 0.365930 1.745517
H 5.488285 1.110648 0.203376
H 5.637009 -1.921423 0.806197
H 6.721320 -1.016926 -0.278460
H 1.035908 -0.768115 0.877448
H 1.428502 0.922267 1.335805
H 0.626764 -0.060488 -1.478797
H 0.108325 3.337375 -0.457102
H 2.543086 1.464122 -1.018893
H -0.743866 -1.467736 -0.565388
H -2.089267 4.375427 0.242455
H -4.069737 2.906406 0.707662
H -5.074540 0.647651 0.817357
H -4.911626 -1.819479 0.572294
H -4.101552 -3.988510 1.067836
H -3.356884 -5.056700 -0.179904
H -4.566849 -3.813388 -0.672347


