%chk=000021834.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021834

0 1
 O    2.971500     -0.9149000       2.313000    
 O   -5.892900       1.587600       1.365400    
 O   -5.358800       2.625300     -0.5852000    
 N   -1.056700      -2.159700     -0.1449000    
 N    1.603400      -1.156300      3.2099999E-02
 N    2.344700      0.4872000      -2.120300    
 N    4.053400       1.442800     -0.7289000    
 N    4.369400      0.7296000       1.521900    
 N    5.704100       2.395000      0.5499000    
 C  -0.1497000      -2.180500      -1.295100    
 C   -2.062400      -1.203400     -5.1300000E-02
 C   0.9706000      -1.210100      -1.154300    
 C  -0.8772000      -3.175400      0.8796000    
 C    2.610500     -0.2633000      0.1114000    
 C   -2.221100     -0.2292000      -1.050900    
 C   -2.939700      -1.190900       1.045700    
 C    2.992400      0.5569000     -0.9378000    
 C    1.334300     -0.4037000      -2.210500    
 C   -3.228700      0.7307000     -0.9560000    
 C   -3.947400     -0.2311000       1.140500    
 C   -4.091900      0.7296000      0.1397000    
 C    3.329900     -0.1755000       1.401500    
 C    4.684100       1.478300      0.4953000    
 C   -5.141800       1.731300      0.2392000    
 H  -0.6974000      -2.059700      -2.238000    
 H   0.3038000      -3.176700      -1.389700    
 H   -1.760300      -3.819800      0.9512000    
 H  -0.6781000      -2.718900       1.855600    
 H  -2.4100000E-02  -3.827900      0.6622000    
 H   -1.587600     -0.1716000      -1.928600    
 H   -2.868000      -1.918400       1.849300    
 H   0.8332000     -0.4395000      -3.170800    
 H   -3.325500       1.471100      -1.745800    
 H   -4.597500     -0.2679000       2.010200    
 H    4.331200       2.041600      -1.496300    
 H    6.250500       2.522100       1.394800    
 H    5.941000       2.971300     -0.2502000    
 H   -6.598100       2.267100       1.422900    


%chk=000021834-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021834

0 1
O 3.683282 -1.521734 2.108263
O -6.111252 1.641879 1.279802
O -5.673421 2.477049 -0.844072
N -1.095841 -2.155524 -0.151302
N 1.812444 -1.352290 -0.076632
N 2.191586 0.782577 -1.927354
N 4.022557 1.528892 -0.643613
N 4.770900 0.414049 1.364460
N 5.856436 2.335488 0.613165
C -0.154501 -2.198255 -1.284828
C -2.122761 -1.210178 -0.090748
C 0.984563 -1.190710 -1.152589
C -0.776800 -2.980622 1.030536
C 2.822818 -0.459310 0.096859
C -2.404072 -0.317800 -1.180138
C -2.952484 -1.111580 1.075776
C 2.991876 0.610499 -0.839107
C 1.189434 -0.127209 -2.074385
C -3.460105 0.598893 -1.106075
C -4.005418 -0.188722 1.138681
C -4.281111 0.682051 0.050450
C 3.773510 -0.588274 1.269357
C 4.868323 1.389281 0.467075
C -5.374171 1.668560 0.074418
H -0.691754 -2.048719 -2.237917
H 0.283591 -3.211211 -1.318570
H -1.644452 -3.602188 1.323825
H -0.467179 -2.361479 1.893697
H 0.068389 -3.641369 0.790757
H -1.799869 -0.338170 -2.090716
H -2.768029 -1.759239 1.935950
H 0.542850 0.002358 -2.948267
H -3.668454 1.273735 -1.943345
H -4.627715 -0.128951 2.036287
H 4.114020 2.280058 -1.333730
H 6.465769 2.227127 1.421453
H 5.985153 3.123024 -0.016894
H -6.825014 2.331114 1.216271


