%chk=000090002.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090002

0 1
 O  -9.2000002E-03   1.593000     -6.1799999E-02
 O   -2.385700       2.452400     -7.3299997E-02
 O   -4.401400      -2.494600      4.3699998E-02
 O   -6.799200      -1.622000      3.0400001E-02
 O    5.852600     -9.2399999E-02 -4.6200000E-02
 O    8.616700      0.3297000      0.1203000    
 N   -2.056300      -3.586000      5.8200002E-02
 N   -4.728200       3.542800     -9.0899996E-02
 C   -1.950000      0.1502000     -2.4300000E-02
 C   -2.471700      -1.144800      6.3999998E-03
 C   -4.311800       1.101200     -3.7799999E-02
 C   -4.833500     -0.1938000     -7.1000000E-03
 C   -2.851100       1.320500     -4.7400001E-02
 C  -0.5636000      0.3444000     -3.3300001E-02
 C   0.2947000     -0.7552000     -1.1900000E-02
 C   -3.932500      -1.364200      1.6100001E-02
 C   -1.606800      -2.245600      2.7899999E-02
 C  -0.2258000      -2.047500      1.8700000E-02
 C   -5.176600       2.202000     -5.9900001E-02
 C    1.734600     -0.5825000     -2.1100000E-02
 C   -6.220000     -0.3881000      1.4000000E-03
 C   -6.557700       2.004000     -5.1199999E-02
 C   -7.078200      0.7117000     -2.0600000E-02
 C    2.419200     -0.5265000      -1.233000    
 C    2.428000     -0.4740000       1.182400    
 C    3.804300     -0.3613000      -1.241500    
 C    3.812900     -0.3088000       1.173800    
 C    4.501200     -0.2525000     -3.8100000E-02
 C    6.426600      0.6391000       1.036100    
 C    7.693500       1.320300      0.5562000    
 C    9.818200      0.9144000     -0.3626000    
 C    10.75670     -0.1859000     -0.8099000    
 H   0.4454000      -2.904900      3.5200000E-02
 H   -7.243300       2.847800     -6.7900002E-02
 H   -8.155600      0.5690000     -1.4100000E-02
 H    1.890900     -0.6096000      -2.179800    
 H    1.906400     -0.5219000       2.135400    
 H   -1.385000      -4.342600      7.4199997E-02
 H   -3.042900      -3.801400      6.8200000E-02
 H  -0.6866000       2.279700      1.9300001E-02
 H    4.335200     -0.3181000      -2.188600    
 H    4.319900     -0.2560000       2.132700    
 H   -3.741800       3.759000     -0.1001000    
 H   -5.400400       4.298700     -0.1068000    
 H   -6.126400      -2.318500      4.2900000E-02
 H    5.750000       1.418700       1.407600    
 H    6.664800     -6.5899998E-02   1.840800    
 H    8.134700       1.905600       1.370400    
 H    7.460800       1.984300     -0.2846000    
 H    9.595800       1.574900      -1.208100    
 H    10.29060       1.501500      0.4328000    
 H    11.69450      0.2300000      -1.188800    
 H    10.98070     -0.8631000      2.0900000E-02
 H    10.29470     -0.7904000      -1.597400    


%chk=000090002-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000090002

0 1
O -0.295170 1.844068 0.346651
O -2.623868 2.460021 0.745403
O -4.360954 -2.636896 -0.658635
O -6.720894 -2.006365 -0.246509
O 5.950828 0.586037 -0.718480
O 8.667928 0.251034 0.541321
N -1.886662 -3.337748 -1.105653
N -5.089484 3.174164 1.184306
C -2.079450 0.227994 0.017320
C -2.514200 -1.093937 -0.359422
C -4.467806 0.919430 0.441964
C -4.892192 -0.408664 0.074437
C -3.055472 1.241966 0.413235
C -0.691215 0.579325 -0.001351
C 0.305746 -0.389593 -0.410677
C -3.921360 -1.423415 -0.327164
C -1.523060 -2.058690 -0.752814
C -0.146007 -1.672996 -0.763187
C -5.453731 1.895725 0.829342
C 1.754577 -0.069175 -0.475017
C -6.278544 -0.754104 0.096797
C -6.839483 1.511713 0.840364
C -7.241255 0.225978 0.485490
C 2.586403 -0.712716 -1.441501
C 2.377464 0.840588 0.422634
C 3.967048 -0.475784 -1.499319
C 3.765803 1.081084 0.384214
C 4.569495 0.419781 -0.578752
C 6.629668 1.501541 0.215154
C 8.118293 1.450453 -0.088953
C 10.075122 0.019408 0.182362
C 10.526772 -1.251902 0.899620
H 0.594431 -2.436336 -1.028448
H -7.589683 2.254603 1.136191
H -8.295756 -0.064767 0.493898
H 2.138000 -1.382004 -2.184129
H 1.764895 1.365406 1.157914
H -1.184372 -4.020530 -1.380845
H -2.897776 -3.553841 -1.071672
H -1.196351 2.373658 0.580209
H 4.598253 -0.960851 -2.249832
H 4.202686 1.781021 1.102169
H -4.079086 3.390043 1.156633
H -5.792590 3.857108 1.456959
H -5.850563 -2.551755 -0.494597
H 6.238290 2.529611 0.071725
H 6.454786 1.182038 1.261242
H 8.611951 2.361121 0.321287
H 8.273930 1.432074 -1.189602
H 10.165657 -0.091250 -0.921393
H 10.693528 0.893053 0.491157
H 11.580386 -1.480297 0.655984
H 10.436472 -1.132338 1.993006
H 9.900872 -2.107294 0.592865


