%chk=000128119.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128119

0 1
 O   0.2206000       1.229600       1.349000    
 O   -1.274900       3.481600      0.6105000    
 O    6.536100       1.273600     -0.1864000    
 N    1.087900      -1.154100      0.3213000    
 N   -1.405700       1.344300     -0.3169000    
 N    4.265400     -0.2661000     -0.4197000    
 N   -3.978900       3.557800     -0.3404000    
 N    5.477500     -0.7917000     -0.1335000    
 N    7.732700     -0.6346000      0.2629000    
 C  -0.3113000     -0.7817000      0.1027000    
 C   -1.240700      -1.641400      0.9745000    
 C   -2.662600      -1.678700      0.4657000    
 C  -0.4400000      0.6982000      0.4586000    
 C    1.913600     -0.7251000     -0.7957000    
 C   -3.584700     -0.7272000      0.9021000    
 C   -3.053700      -2.664200     -0.4408000    
 C   -4.897600     -0.7614000      0.4323000    
 C   -4.366600      -2.698300     -0.9106000    
 C    3.321200      -1.145200     -0.4901000    
 C   -5.288600      -1.746800     -0.4739000    
 C   -1.759500       2.686500     -0.1924000    
 C   -2.860400       3.091600      -1.145500    
 C    6.570400      5.3300001E-02 -3.3700000E-02
 H  -0.5702000     -0.9395000     -0.9529000    
 H  -0.8786000      -2.678100       1.015500    
 H   -1.235000      -1.290000       2.015200    
 H    1.157400      -2.168500      0.4072000    
 H    1.884200      0.3596000     -0.9421000    
 H    1.615900      -1.224200      -1.724400    
 H   -3.296300      4.2100001E-02   1.613300    
 H   -2.344100      -3.409300     -0.7905000    
 H   -1.885600      0.7921000      -1.022900    
 H   -5.615500     -2.0900000E-02  0.7728000    
 H   -4.671000      -3.465100      -1.617000    
 H    3.503200      -2.227200     -0.3482000    
 H   -6.310800      -1.773200     -0.8399000    
 H   -3.181300       2.257200      -1.775600    
 H   -2.487100       3.889400      -1.795000    
 H   -3.704600       4.390800      0.1797000    
 H   -4.737900       3.849200     -0.9554000    
 H    5.556500      -1.794400      1.3000000E-03
 H    8.618100     -0.1506000      0.3679000    
 H    7.737900      -1.641700      0.3847000    


%chk=000128119-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128119

0 1
O 0.004005 1.322494 1.237934
O -1.911433 3.405851 0.398891
O 7.018990 1.061466 -0.157080
N 1.173808 -1.095452 0.304128
N -1.661253 1.204811 -0.434935
N 4.569571 -0.343038 -0.291319
N -4.203281 3.886604 -1.257818
N 5.792158 -0.966957 -0.137335
N 8.102047 -0.969376 0.228480
C -0.237882 -0.800196 0.019903
C -1.148707 -1.759088 0.858479
C -2.626566 -1.661149 0.511274
C -0.601197 0.685545 0.341889
C 2.153657 -0.465372 -0.622468
C -3.542987 -1.002204 1.370182
C -3.112850 -2.203278 -0.709307
C -4.907761 -0.882826 1.020243
C -4.475575 -2.083019 -1.065270
C 3.509425 -1.099358 -0.433661
C -5.378547 -1.419186 -0.200954
C -2.291373 2.477021 -0.347690
C -3.528549 2.593827 -1.288327
C 6.972725 -0.185642 -0.027481
H -0.420432 -1.002520 -1.055116
H -0.764228 -2.776980 0.663518
H -0.985018 -1.541135 1.930970
H 1.395519 -0.844318 1.280102
H 2.249455 0.634720 -0.505206
H 1.800755 -0.664678 -1.656232
H -3.183839 -0.577589 2.315424
H -2.423494 -2.739652 -1.374589
H -2.105876 0.534047 -1.072443
H -5.601725 -0.375501 1.699695
H -4.834871 -2.514436 -2.006407
H 3.531915 -2.208853 -0.420702
H -6.436206 -1.329558 -0.471988
H -4.245970 1.794528 -1.011782
H -3.203652 2.372848 -2.325071
H -4.595491 4.112041 -0.337219
H -3.611007 4.657344 -1.585538
H 5.857826 -1.996294 -0.135226
H 8.988772 -0.475751 0.291322
H 8.074543 -1.962038 0.452429


