%chk=000104244.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104244

0 1
 O    1.446700       1.908800       1.656000    
 O   -6.305500       2.220800     -0.4991000    
 O   -6.955900      0.1279000     -0.3723000    
 N    4.537300      0.3509000     -0.1098000    
 N    1.859100       1.145800     -0.5351000    
 N  -0.1792000     -0.7956000     -0.6029000    
 N  -0.7332000     -0.5670000      0.4966000    
 N   -6.055200       1.001200     -0.3437000    
 N   -2.570800      -3.669600      0.5721000    
 C    3.492800     -0.6003000     -0.1496000    
 C    5.353100      0.4916000       1.078100    
 C    4.811100       1.184500      -1.261700    
 C    2.170600     -0.2080000     -0.3593000    
 C    3.800500      -1.949500      2.5100000E-02
 C    1.160300      -1.166100     -0.3941000    
 C    4.633900       1.341500       2.107900    
 C    5.640300      0.4192000      -2.275000    
 C    2.786200      -2.906500     -1.0200000E-02
 C    1.464300      -2.514300     -0.2200000    
 C    1.527200       2.086200      0.4448000    
 C    1.259400       3.443300     -0.1562000    
 C   -2.069400     -0.1972000      0.2888000    
 C   -3.086900      -1.150700      0.2538000    
 C   -2.372700       1.153000      0.1149000    
 C   -4.711100      0.5965000     -0.1292000    
 C   -4.407700     -0.7539000      4.4799998E-02
 C   -3.693400       1.550000     -9.3999997E-02
 C   -2.801700      -2.542700      0.4296000    
 H    6.309700      0.9673000      0.8292000    
 H    5.608200     -0.4809000       1.514200    
 H    5.363400       2.081800     -0.9561000    
 H    3.909500       1.551400      -1.757700    
 H    4.825700      -2.276800      0.1770000    
 H    5.282900       1.515500       2.972200    
 H    3.729300      0.8433000       2.469500    
 H    4.351800       2.315600       1.695400    
 H    5.892000       1.062900      -3.123700    
 H    5.097500     -0.4500000      -2.661000    
 H    6.575500      6.0800001E-02  -1.831600    
 H    3.026200      -3.957400      0.1226000    
 H   0.6819000      -3.268000     -0.2474000    
 H    1.628100       1.398400      -1.493900    
 H   0.3997000       3.387200     -0.8296000    
 H    1.043400       4.163800      0.6373000    
 H    2.138200       3.781500     -0.7127000    
 H   -1.589200       1.905100      0.1424000    
 H   -5.187500      -1.512900      2.0400001E-02
 H   -3.892200       2.610600     -0.2253000    


%chk=000104244-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104244

0 1
O 3.306536 2.643347 0.714137
O -7.652490 -0.346492 -0.325666
O -6.846179 1.299458 -1.689393
N 4.455984 0.140315 0.037324
N 1.696244 1.243278 -0.274915
N -0.393212 -0.306102 0.491964
N -1.420471 -1.007867 0.927855
N -6.686934 0.347839 -0.829973
N -1.088564 2.021340 -1.619023
C 3.338074 -0.405097 0.676733
C 5.748887 0.234521 0.754143
C 4.437318 0.463998 -1.405618
C 1.985665 0.052843 0.427740
C 3.493328 -1.464604 1.619472
C 0.876005 -0.733803 0.919952
C 6.486897 1.564766 0.493563
C 5.352501 -0.465487 -2.237439
C 2.391921 -2.152406 2.184197
C 1.083919 -1.838448 1.799528
C 2.369252 2.478786 -0.115242
C 1.878651 3.582545 -1.043612
C -2.675834 -0.573793 0.433246
C -2.915403 0.485557 -0.517627
C -3.790434 -1.299711 0.941609
C -5.308681 0.030040 -0.392958
C -4.239664 0.775423 -0.924981
C -5.102442 -1.009955 0.543384
C -1.862663 1.281977 -1.083730
H 6.415552 -0.621046 0.502918
H 5.529117 0.172391 1.834241
H 4.731627 1.519670 -1.565531
H 3.403199 0.362486 -1.770173
H 4.505594 -1.807402 1.855634
H 7.382362 1.617806 1.139617
H 5.822110 2.412080 0.729601
H 6.828544 1.658598 -0.552930
H 5.285225 -0.196003 -3.307833
H 5.047317 -1.521400 -2.126526
H 6.411850 -0.378329 -1.936486
H 2.579393 -2.976323 2.880874
H 0.216046 -2.400370 2.151479
H 0.760635 1.294647 -0.704840
H 0.874458 3.387698 -1.452347
H 1.884873 4.538598 -0.496155
H 2.584626 3.682158 -1.889688
H -3.578731 -2.097374 1.659029
H -4.446313 1.571107 -1.645932
H -5.961493 -1.562260 0.931881


