%chk=000048947.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048947

0 1
 O    2.356400      0.3116000      8.7099999E-02
 O    3.711500       2.075700      0.6797000    
 N   -1.251400       1.060600      0.1795000    
 C   -2.434700      0.2243000     -1.7800000E-02
 C   -3.713300       1.001000      0.2984000    
 C  -3.2699998E-02  0.2782000     -2.4499999E-02
 C   -4.940500      0.1427000      0.1205000    
 C    1.199600       1.114500      0.2815000    
 C   -1.279600       2.208100     -0.7267000    
 C   -5.569300      0.1016000      -1.114900    
 C   -5.419800     -0.5914000       1.194900    
 C   -6.704200     -0.6923000      -1.279600    
 C   -6.554700      -1.385400       1.029900    
 C   -7.197000      -1.435900     -0.2074000    
 C    3.552300      0.9189000      0.3221000    
 C    4.676200     -2.1500001E-02  8.2999997E-02
 C    5.887200      0.4820000     -0.3460000    
 C    4.474900      -1.369600      0.2978000    
 C    6.943200     -0.4014000     -0.5704000    
 C    5.531100      -2.252900      7.3500000E-02
 C    6.765100      -1.768700     -0.3606000    
 H   -2.381100     -0.6452000      0.6509000    
 H   -2.472600     -0.1690000      -1.043000    
 H   -3.681500       1.388000       1.325600    
 H   -3.850600       1.874000     -0.3475000    
 H  -2.6000001E-02 -0.5949000      0.6411000    
 H   3.1099999E-02 -0.1200000      -1.046200    
 H    1.172900       1.470800       1.318600    
 H    1.298500       1.969100     -0.3928000    
 H  -0.4470000       2.896000     -0.5576000    
 H   -2.146200       2.853200     -0.5611000    
 H   -1.270600       1.906200      -1.780500    
 H   -5.192200      0.6745000      -1.957300    
 H   -4.925500     -0.5602000       2.161700    
 H   -7.203900     -0.7323000      -2.243100    
 H   -6.938100      -1.964900       1.864700    
 H   -8.080500      -2.054300     -0.3358000    
 H    6.037100       1.544000     -0.5159000    
 H    3.528500      -1.770300      0.6483000    
 H    7.903900     -2.4599999E-02 -0.9089000    
 H    5.393800      -3.317400      0.2397000    
 H    7.587500      -2.456400     -0.5346000    


%chk=000048947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048947

0 1
O 2.314249 0.247787 0.040327
O 3.621272 1.887664 1.057065
N -1.283860 1.228342 -0.325585
C -2.514913 0.404424 -0.390250
C -3.759680 1.126331 0.194463
C -0.039275 0.436198 -0.484440
C -4.962776 0.196395 0.240207
C 1.111598 1.092615 0.289553
C -1.327405 2.398454 -1.229869
C -5.791956 0.026243 -0.899112
C -5.256327 -0.557534 1.406013
C -6.883156 -0.871422 -0.876708
C -6.347030 -1.456062 1.434463
C -7.164212 -1.617546 0.291525
C 3.532536 0.771044 0.487653
C 4.676843 -0.143942 0.205745
C 5.973983 0.272623 0.603784
C 4.501919 -1.396776 -0.437962
C 7.087375 -0.556830 0.359460
C 5.619383 -2.223474 -0.680052
C 6.912275 -1.806279 -0.282768
H -2.342927 -0.512801 0.203087
H -2.747033 0.077524 -1.437119
H -3.496190 1.483974 1.206773
H -3.999529 2.015450 -0.418568
H -0.204460 -0.575653 -0.073125
H 0.259930 0.310164 -1.553174
H 0.902537 1.115211 1.372932
H 1.326000 2.122870 -0.044781
H -0.389009 2.973163 -1.153452
H -2.149414 3.075643 -0.943658
H -1.469582 2.107586 -2.301474
H -5.585623 0.608951 -1.806089
H -4.629832 -0.432779 2.298324
H -7.515112 -0.986118 -1.764922
H -6.562064 -2.025007 2.346345
H -8.011993 -2.311548 0.312873
H 6.083280 1.243051 1.099252
H 3.497352 -1.706320 -0.739143
H 8.087630 -0.233701 0.667340
H 5.484957 -3.190598 -1.176644
H 7.778038 -2.450916 -0.471991


