%chk=000046786.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046786

1 1
 O    2.322700      0.9600000      2.8100001E-02
 O   0.7592000     -0.7320000     -8.6000003E-02
 N    5.828400     -0.3184000     -1.2000000E-02
 C    4.710000      0.7112000      5.9000000E-02
 C    5.464900      -1.522500      0.8447000    
 C    7.120000      0.2997000      0.5037000    
 C    6.019100     -0.7618000      -1.455300    
 C    3.371800      1.3000000E-03 -1.4000000E-03
 C    5.276700      -1.075700       2.278100    
 C    7.476200       1.495900     -0.3517000    
 C    7.132100      -1.784800      -1.519500    
 C    1.049100      0.4549000     -2.0700000E-02
 C   6.1600000E-02   1.596800      1.7700000E-02
 C   -1.372700       1.134500      5.2000000E-03
 C   -2.038600      0.9591000      -1.207800    
 C   -2.034200      0.8819000       1.207100    
 C   -4.027600      0.2781000     -1.7300000E-02
 C   -3.365900      0.5309000      -1.219000    
 C   -3.361700      0.4536000       1.195800    
 C   -5.404200     -0.1659000     -2.9300001E-02
 C   -6.438900      0.7692000      1.7000000E-03
 C   -5.697400      -1.529000     -7.2700001E-02
 C   -7.766500      0.3414000     -1.0200000E-02
 C   -7.025000      -1.956800     -8.4799998E-02
 C   -8.059400      -1.021500     -5.3500000E-02
 H    4.798400       1.396500     -0.7922000    
 H    4.806200       1.310800      0.9715000    
 H    6.312000      -2.215100      0.8498000    
 H    4.614700      -2.063200      0.4181000    
 H    7.914600     -0.4484000      0.5586000    
 H    6.945400      0.6690000       1.519400    
 H    6.202800      0.1035000      -2.097700    
 H    5.089400      -1.228900      -1.795800    
 H    3.182600     -0.6545000      0.8501000    
 H    3.267400     -0.5763000     -0.9254000    
 H    6.230200     -0.8581000       2.770500    
 H    4.607800     -0.2298000       2.441900    
 H    4.849200      -1.913000       2.843700    
 H    7.778300       1.229000      -1.367400    
 H    6.702900       2.266200     -0.3947000    
 H    8.353400       1.983700      9.1700003E-02
 H    8.111000      -1.409200      -1.215500    
 H    6.915300      -2.717800     -0.9951000    
 H    7.254500      -2.076700      -2.570700    
 H   0.2468000       2.189100      0.9218000    
 H   0.2458000       2.246300     -0.8463000    
 H   -1.533200       1.150900      -2.150600    
 H   -1.525300       1.012900       2.158400    
 H   -3.870100      0.3987000      -2.173500    
 H   -3.862400      0.2605000       2.141600    
 H   -6.228200       1.835600      3.5500001E-02
 H   -4.903000      -2.271400     -9.7400002E-02
 H   -8.572100       1.069400      1.4100000E-02
 H   -7.253500      -3.018100     -0.1185000    
 H   -9.093100      -1.354700     -6.2899999E-02


%chk=000046786-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046786

1 1
O 2.158716 1.452188 -1.128871
O 1.417542 0.861430 -3.253841
N 5.121020 -0.509028 0.176611
C 4.003868 0.538763 0.001803
C 4.557065 -1.958046 0.084029
C 5.758804 -0.317296 1.582129
C 6.175217 -0.309004 -0.948802
C 3.203034 0.421662 -1.302971
C 3.364673 -2.266874 0.997463
C 6.485963 1.014119 1.805669
C 7.431377 -1.181117 -0.843430
C 1.257329 1.555853 -2.231779
C 0.136369 2.528489 -1.927983
C -1.036264 1.790802 -1.269734
C -1.784730 0.832957 -1.999534
C -1.394189 2.051642 0.074759
C -3.239132 0.417094 -0.048707
C -2.864314 0.157915 -1.397225
C -2.481046 1.380331 0.672794
C -4.390985 -0.289949 0.581275
C -5.518359 -0.682081 -0.192746
C -4.394811 -0.587643 1.972372
C -6.609928 -1.348939 0.402402
C -5.486066 -1.253827 2.568962
C -6.599553 -1.638703 1.786570
H 4.477776 1.531578 0.050113
H 3.319888 0.442252 0.859873
H 5.403485 -2.622815 0.321141
H 4.288447 -2.118119 -0.973964
H 6.447941 -1.166450 1.720978
H 4.932256 -0.428691 2.302628
H 6.437089 0.761908 -0.933394
H 5.648190 -0.514960 -1.895213
H 2.720697 -0.563293 -1.438558
H 3.793624 0.647447 -2.208438
H 3.597405 -2.159282 2.069720
H 2.468574 -1.669301 0.762280
H 3.092740 -3.325293 0.837291
H 7.347067 1.155750 1.131983
H 5.822349 1.891097 1.730805
H 6.883216 1.004979 2.836128
H 8.023285 -0.983182 0.065352
H 7.216253 -2.260458 -0.904734
H 8.076934 -0.936892 -1.705531
H 0.508639 3.325306 -1.264179
H -0.176422 2.978855 -2.885842
H -1.519539 0.611433 -3.040344
H -0.839122 2.801659 0.650912
H -3.412350 -0.594676 -1.974351
H -2.768642 1.635353 1.698542
H -5.559036 -0.432567 -1.259051
H -3.527469 -0.320822 2.587386
H -7.473040 -1.631625 -0.209990
H -5.466355 -1.478752 3.641002
H -7.447980 -2.154175 2.249143


