%chk=000056637.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056637

0 1
 O   3.9999999E-02  -1.971500       1.296600    
 O    3.308900      -1.135100      0.8233000    
 O   -3.256700      -1.255800      0.8272000    
 O    2.489700      -1.694200      -1.144100    
 O   -2.437600      -1.759900      -1.155100    
 O  -7.3100001E-02   3.777900      6.8899997E-02
 O  -5.7300001E-02   2.006500       1.378900    
 N    2.451900      -1.080200     -6.9100000E-02
 N   -2.403600      -1.170800     -6.6299997E-02
 N  -4.8500001E-02   2.554500      0.2670000    
 C    1.266800     -0.2227000      0.1774000    
 C   -1.251100     -0.2695000      0.1775000    
 C   2.3900000E-02  -1.115500      0.1500000    
 C  -2.8800000E-02   1.671700     -0.9222000    
 C    1.260500      0.8571000     -0.9040000    
 C   -1.285100      0.8075000     -0.9060000    
 H    1.426700      0.1973000       1.176200    
 H   -1.427500      0.1426000       1.176500    
 H   3.4499999E-02  -1.769100     -0.7308000    
 H  -4.0600002E-02   2.328600      -1.800400    
 H    1.366700      0.4033000      -1.899000    
 H    2.131900       1.514500     -0.7798000    
 H   -2.182200       1.430300     -0.7853000    
 H   -1.370000      0.3493000      -1.901000    
 H   3.0099999E-02  -1.410200       2.090700    


%chk=000056637-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056637

0 1
O 0.040081 -2.164242 1.132948
O 3.276595 -1.256701 1.028258
O -3.224487 -1.378081 1.027049
O 2.683821 -1.631805 -1.146238
O -2.619583 -1.728642 -1.148256
O -0.076299 3.952080 -0.073755
O -0.039789 2.223493 1.415367
N 2.511707 -1.100263 0.012589
N -2.466937 -1.191853 0.010902
N -0.049927 2.704953 0.216322
C 1.269244 -0.207731 0.193357
C -1.258776 -0.253775 0.191682
C 0.021680 -1.124300 0.117321
C -0.029547 1.695365 -0.952465
C 1.272310 0.867673 -0.915314
C -1.299809 0.819727 -0.917798
H 1.374885 0.231468 1.198092
H -1.380886 0.181875 1.196082
H 0.032278 -1.675974 -0.839625
H -0.040681 2.338914 -1.847001
H 1.372989 0.359621 -1.892554
H 2.146654 1.533127 -0.801839
H -2.198669 1.451996 -0.806160
H -1.379869 0.307755 -1.894889
H 0.032517 -1.768082 2.043025


