%chk=000027473.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027473

0 1
 O    5.722500      -2.244600     -0.1788000    
 O    6.421000     -0.1591000     -0.2016000    
 N  -0.3374000       1.756400     -0.4850000    
 N   -2.709600       1.740700      8.2199998E-02
 N    5.503500      -1.010900     -0.1233000    
 C  -0.8997000      0.3963000     -0.4997000    
 C   0.1341000      0.7949000      0.5060000    
 C   -1.504400       2.579100     -0.1246000    
 C   -2.325800      0.5233000     -0.1530000    
 C    1.528600      0.3258000      0.3418000    
 C   -1.821900       3.667400      -1.156200    
 C   -1.185400       3.248200       1.222100    
 C   -3.184900     -0.6386000     -7.6399997E-02
 C    1.811300      -1.043600      0.2760000    
 C    2.578700       1.247100      0.2516000    
 C   -2.670400      -1.913400     -0.3328000    
 C   -4.535900     -0.4951000      0.2549000    
 C    3.125300      -1.485600      0.1224000    
 C    3.892700      0.8052000      9.7800002E-02
 C    4.166000     -0.5611000      3.3399999E-02
 C   -3.498700      -3.033300     -0.2587000    
 C   -5.364000      -1.615100      0.3292000    
 C   -4.845500      -2.884200      7.2600000E-02
 H  -0.6277000     -0.1617000      -1.387400    
 H  -0.2101000      0.8606000       1.531300    
 H   -2.692500       4.260600     -0.8542000    
 H  -0.9743000       4.348200      -1.291600    
 H   -2.056100       3.222000      -2.130000    
 H   -1.212500       2.562400       2.074700    
 H  -0.2124000       3.753500       1.205600    
 H   -1.937300       4.015100       1.449500    
 H    1.010600      -1.775600      0.3478000    
 H    2.384200       2.315500      0.3066000    
 H   -1.627000      -2.074400     -0.5870000    
 H   -4.966100      0.4819000      0.4597000    
 H    3.300200      -2.557400      7.6800004E-02
 H    4.677800       1.554200      3.3300001E-02
 H   -3.095100      -4.022000     -0.4571000    
 H   -6.412700      -1.499300      0.5870000    
 H   -5.490200      -3.756300      0.1308000    


%chk=000027473-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027473

0 1
O 6.124379 -1.844052 0.732296
O 6.302097 -0.579655 -1.158571
N -0.313944 1.873520 -0.312714
N -2.645274 1.666133 0.434869
N 5.637906 -1.026971 -0.143895
C -0.878768 0.501003 -0.619377
C 0.154719 0.687299 0.512354
C -1.510242 2.642627 0.284560
C -2.309057 0.517377 -0.123564
C 1.576860 0.272479 0.345762
C -1.919271 3.698630 -0.761391
C -1.155410 3.288173 1.635191
C -3.223065 -0.637437 -0.226269
C 2.162559 -0.626607 1.277510
C 2.353106 0.742036 -0.748615
C -2.749955 -1.900295 -0.676044
C -4.594176 -0.496151 0.126813
C 3.492824 -1.057488 1.125954
C 3.684858 0.322877 -0.914059
C 4.237118 -0.578038 0.025020
C -3.629361 -3.000272 -0.769209
C -5.468943 -1.595430 0.033164
C -4.990278 -2.851249 -0.416590
H -0.590260 0.003814 -1.549362
H -0.256914 0.565996 1.523609
H -2.840548 4.212485 -0.438710
H -1.110482 4.439554 -0.882453
H -2.106746 3.219629 -1.738021
H -0.903919 2.532116 2.398531
H -0.295411 3.968455 1.512091
H -2.019096 3.866280 2.003669
H 1.570911 -0.990088 2.125636
H 1.898938 1.459145 -1.439418
H -1.694462 -2.027482 -0.941893
H -4.944848 0.482221 0.470052
H 3.962897 -1.746888 1.831993
H 4.303127 0.677150 -1.743082
H -3.256415 -3.970499 -1.114829
H -6.523379 -1.478544 0.306290
H -5.673173 -3.704752 -0.491598


