%chk=000126576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126576

0 1
 O    4.726700      0.2475000       1.491000    
 O    4.629300     -0.2638000      -1.518900    
 O   -4.005800      -1.886500      3.0300001E-02
 N   0.2085000     -0.2571000      8.3999997E-03
 N   -1.591700       1.377400     -2.2299999E-02
 N   -1.065300      -2.102400      3.8600001E-02
 N   -3.794600      0.4213000     -8.7000001E-03
 N   -3.449200       2.752600     -4.7499999E-02
 C    1.408700      0.5752000     -3.5000001E-03
 C    2.315100      0.4006000       1.231300    
 C    2.305100      0.3326000      -1.230400    
 C    3.629200     -0.1547000      0.6912000    
 C    3.726500      0.4557000     -0.6988000    
 C   -1.082700      0.1429000      9.9999997E-05
 C   0.1707000      -1.632100      3.1500001E-02
 C   -1.850900     -0.9845000      1.8600000E-02
 C   -3.296900     -0.8874000      1.4900000E-02
 C   -2.982600       1.462700     -2.5699999E-02
 H    1.068900       1.617600     -2.2700001E-02
 H    2.483300       1.373400       1.711000    
 H    1.892200     -0.2552000       2.000000    
 H    2.140300     -0.6524000      -1.683900    
 H    2.113100       1.067600      -2.020200    
 H    3.609600      -1.250300      0.6559000    
 H    4.054800       1.500500     -0.6589000    
 H    1.068400      -2.235300      4.5100000E-02
 H    5.536800     -5.8400001E-02   1.048500    
 H    4.354400      -1.196400      -1.532100    
 H   -1.028000       2.220700     -3.6400001E-02
 H   -4.443800       2.950600     -5.2000001E-02
 H   -2.815800       3.544400     -6.0600001E-02


%chk=000126576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126576

0 1
O 4.895068 0.038075 1.444292
O 4.668165 -0.072916 -1.701979
O -4.165972 -1.866701 -0.030671
N 0.227580 -0.241363 0.220251
N -1.616397 1.436093 -0.061501
N -1.070128 -2.131950 0.253449
N -3.832004 0.458074 -0.163839
N -3.558416 2.777707 -0.306547
C 1.440513 0.603448 0.187132
C 2.460944 0.269205 1.332870
C 2.233031 0.450356 -1.157260
C 3.724656 -0.258204 0.629654
C 3.718673 0.476233 -0.733204
C -1.095716 0.155935 0.077910
C 0.178859 -1.655515 0.317884
C -1.895095 -1.000443 0.100201
C -3.362675 -0.898142 -0.030015
C -3.028944 1.505085 -0.175043
H 1.100027 1.649254 0.302464
H 2.740019 1.185539 1.882107
H 2.040852 -0.439702 2.063229
H 1.986411 -0.529426 -1.611134
H 1.985233 1.229855 -1.895653
H 3.650691 -1.355315 0.436446
H 4.076286 1.509557 -0.574214
H 1.076431 -2.255727 0.447087
H 5.707118 -0.179427 0.917800
H 4.351510 -0.963351 -2.004386
H -1.027580 2.269946 -0.079076
H -4.570946 2.831534 -0.387052
H -3.003896 3.629085 -0.307402


