%chk=000089341.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089341

0 1
 O   0.1102000      0.3896000       2.019800    
 N    2.264700     -0.9761000      0.2088000    
 C    2.525300     -0.3837000      -1.110700    
 C    3.336600      -1.904300      0.5955000    
 C    3.853300      0.3750000      -1.122600    
 C    4.691100      -1.195400      0.6393000    
 C    5.007900     -0.5218000     -0.6912000    
 C   0.9705000      -1.657300      0.2173000    
 C  -0.1886000     -0.6961000     -0.1288000    
 C   -1.529200      -1.413800     -0.1265000    
 C  -0.1991000      0.5007000      0.8344000    
 C  -0.6126000       1.843900      0.3363000    
 C   -1.946200      -2.054500      -1.276100    
 C   -2.290400      -1.404500       1.025300    
 C   -3.175700      -2.713100      -1.274100    
 C   -3.519900      -2.063200       1.027200    
 C   -1.525700       1.914800     -0.6917000    
 C  -6.6299997E-02   2.963200      0.9234000    
 C   -3.962500      -2.717600     -0.1225000    
 C   -1.912800       3.171300      -1.157500    
 C  -0.4536000       4.219600      0.4575000    
 C   -1.376900       4.323600     -0.5829000    
 H    1.777700      0.3649000      -1.383900    
 H    2.530000      -1.152500      -1.894400    
 H    3.388600      -2.753000     -9.9299997E-02
 H    3.133400      -2.311900       1.593200    
 H    3.789800       1.238600     -0.4480000    
 H    4.047300      0.7679000      -2.127200    
 H    5.478700      -1.916600      0.8852000    
 H    4.685800     -0.4426000       1.437800    
 H    5.182400      -1.287600      -1.456900    
 H    5.929000      6.5099999E-02 -0.6061000    
 H   0.7937000      -2.084000       1.214200    
 H   0.9713000      -2.501800     -0.4860000    
 H  -5.6699999E-02 -0.3124000      -1.145800    
 H   -1.338800      -2.057700      -2.176300    
 H   -1.976800     -0.9285000       1.946600    
 H   -3.520000      -3.223300      -2.169000    
 H   -4.131000      -2.071400       1.925100    
 H   -1.974000       1.046000      -1.156800    
 H   0.6579000       2.897100       1.729500    
 H   -4.919200      -3.231700     -0.1204000    
 H   -2.633600       3.252900      -1.965900    
 H  -3.5300002E-02   5.117100      0.9037000    
 H   -1.678500       5.302000     -0.9454000    


%chk=000089341-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089341

0 1
O 0.233859 0.279201 2.023472
N 2.275823 -1.024101 -0.114544
C 2.780851 -1.222034 -1.492705
C 3.293751 -1.342394 0.915758
C 4.030878 -0.357573 -1.757206
C 4.558535 -0.480282 0.719632
C 5.127554 -0.652470 -0.707840
C 0.957631 -1.653307 0.121146
C -0.194752 -0.656076 -0.190926
C -1.561603 -1.352025 -0.180680
C -0.155190 0.497640 0.837514
C -0.608565 1.870279 0.430235
C -2.231543 -1.636916 -1.397980
C -2.154265 -1.771788 1.039026
C -3.466386 -2.323774 -1.400754
C -3.389218 -2.457033 1.038072
C -1.306747 2.120330 -0.781782
C -0.338556 2.955412 1.308828
C -4.050587 -2.735699 -0.180725
C -1.723033 3.428841 -1.107877
C -0.743846 4.262740 0.977556
C -1.438036 4.503427 -0.233426
H 1.978629 -0.954357 -2.207360
H 3.035581 -2.300848 -1.677569
H 3.584910 -2.426543 0.885763
H 2.846876 -1.141800 1.906148
H 3.743665 0.710262 -1.701082
H 4.405454 -0.553599 -2.780727
H 5.314899 -0.758804 1.478694
H 4.289436 0.580964 0.884886
H 5.488792 -1.694344 -0.836903
H 5.998692 0.012464 -0.861077
H 0.878821 -1.942640 1.183978
H 0.811503 -2.573916 -0.490860
H -0.015861 -0.241861 -1.200159
H -1.779276 -1.326500 -2.349074
H -1.650113 -1.550966 1.987055
H -3.970595 -2.537597 -2.350153
H -3.836802 -2.771830 1.987650
H -1.550647 1.296035 -1.458885
H 0.191484 2.741943 2.242923
H -5.009237 -3.266437 -0.180030
H -2.270322 3.611461 -2.039141
H -0.523798 5.093727 1.656722
H -1.756845 5.519691 -0.491495


