%chk=000092678.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092678

0 1
 O   -5.489500      -1.461500     -0.1080000    
 O    1.161700       3.348500     -0.3867000    
 O  -0.2043000      -1.826600      0.8923000    
 N   -3.538700      0.6009000      9.7800002E-02
 N  -9.3000000E-03  -1.976800      -1.387700    
 C   -2.882400       1.697700      0.8064000    
 C   -1.389200       1.412200      0.9598000    
 C   -3.410600     -0.6559000      0.8484000    
 C   -4.957200      0.9054000     -0.1358000    
 C  -0.7094000       1.230600     -0.4040000    
 C   -4.112800      -1.782300      9.5600002E-02
 C   -5.623600     -0.2579000     -0.8648000    
 C   0.7621000      0.9893000     -0.2715000    
 C    1.262600     -0.3073000     -0.1503000    
 C    1.632500       2.075200     -0.2702000    
 C    2.643100     -0.5339000     -2.6300000E-02
 C    3.528200      0.5705000     -2.5000000E-02
 C    3.006800       1.868700     -0.1478000    
 C    3.164400      -1.832100      9.6799999E-02
 C   0.3090000      -1.417200     -0.1583000    
 C    4.908600      0.3439000      9.9500000E-02
 C    4.538800      -2.038600      0.2192000    
 C    5.409100     -0.9527000      0.2206000    
 H   -3.327100       1.859900       1.796600    
 H   -3.004200       2.630600      0.2417000    
 H   -1.189100      0.5740000       1.634200    
 H  -0.9397000       2.280600       1.461400    
 H   -2.377900     -0.9631000      0.9766000    
 H   -3.860200     -0.5504000       1.844500    
 H   -5.471000       1.080100      0.8185000    
 H   -5.056700       1.810300     -0.7460000    
 H   -1.179200      0.4286000     -0.9822000    
 H  -0.8853000       2.124700      -1.017500    
 H   -3.635500      -1.981600     -0.8717000    
 H   -4.070600      -2.705800      0.6819000    
 H   -6.693100     -5.8400001E-02 -0.9856000    
 H   -5.198500     -0.4053000      -1.865200    
 H    3.681400       2.723300     -0.1474000    
 H    2.522400      -2.709500      0.1024000    
 H    5.607700       1.177600      0.1031000    
 H    4.929500      -3.047600      0.3140000    
 H    6.478900      -1.114100      0.3161000    
 H    1.910400       3.968800     -0.3651000    
 H   0.4001000      -1.643300      -2.254600    
 H  -0.6708000      -2.743000      -1.456500    


%chk=000092678-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000092678

0 1
O -5.747079 -1.390278 -0.100224
O 1.052398 3.334334 -0.287862
O -0.508160 -1.795248 0.540632
N -3.654243 0.613678 0.201715
N 0.498939 -2.325685 -1.476672
C -2.912850 1.725362 0.846518
C -1.393332 1.478384 0.953253
C -3.636119 -0.643151 0.997961
C -5.052818 0.994727 -0.119160
C -0.740332 1.212730 -0.432112
C -4.356937 -1.759254 0.229132
C -5.749937 -0.143772 -0.881674
C 0.748140 0.944876 -0.314850
C 1.300933 -0.347904 -0.273478
C 1.653974 2.061875 -0.230355
C 2.723354 -0.569002 -0.122276
C 3.599589 0.582918 -0.045637
C 3.033097 1.893994 -0.109828
C 3.307948 -1.876698 -0.015535
C 0.360065 -1.535505 -0.347832
C 5.011895 0.384629 0.103329
C 4.687677 -2.040325 0.135938
C 5.549669 -0.900903 0.188311
H -3.313157 1.940449 1.872399
H -3.086652 2.634314 0.235923
H -1.179526 0.622966 1.619212
H -0.932252 2.374063 1.411891
H -2.593322 -0.960098 1.170002
H -4.133889 -0.495012 1.990740
H -5.640546 1.222091 0.807863
H -5.043127 1.906582 -0.747545
H -1.266102 0.363459 -0.900571
H -0.903998 2.100034 -1.070910
H -3.798423 -1.978858 -0.706737
H -4.432150 -2.674961 0.838140
H -6.812749 0.089868 -1.063010
H -5.232173 -0.308741 -1.852136
H 3.700611 2.764719 -0.054366
H 2.658602 -2.757867 -0.036238
H 5.666189 1.263041 0.157077
H 5.112923 -3.046080 0.222944
H 6.629878 -1.041098 0.304733
H 1.737588 4.046457 -0.240629
H 1.169859 -2.093338 -2.207726
H -0.112057 -3.135272 -1.591151


