%chk=000126578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126578

0 1
 O    3.651600       2.386800      0.6354000    
 O   -1.301500       1.392600       1.228300    
 O    2.659200       2.067500      -1.414200    
 O   -4.300000      -2.581900      0.2869000    
 O   -2.293500      -1.739200      0.6061000    
 N   0.4071000      0.9607000     -0.2854000    
 N   -3.264000      0.6686000     -0.5948000    
 N   -5.232000      6.7699999E-02  0.2014000    
 N   -3.512100      -1.593500      0.3034000    
 C    1.508400       1.316900      0.5737000    
 C    1.979400      0.1147000       1.405500    
 C    2.546900      -1.029800      0.5966000    
 C   -1.859400      0.5937000     -0.9851000    
 C  -0.9200000       1.029300      0.1190000    
 C    2.654500       1.965200     -0.1918000    
 C    1.698800      -2.030300      0.1520000    
 C    3.902700      -1.053900      0.3164000    
 C   -3.995500     -0.3202000     -1.8999999E-02
 C   -4.061900       1.754700     -0.7587000    
 C    2.222200      -3.086000     -0.5945000    
 C    4.426000      -2.109700     -0.4301000    
 C    3.585700      -3.125700     -0.8856000    
 C   -5.280200       1.360100     -0.2579000    
 C    4.777900       2.992000     -7.4000000E-03
 H    1.138900       2.086600       1.263900    
 H    2.734100      0.4372000       2.135300    
 H    1.143900     -0.2625000       2.011400    
 H   0.6200000      0.6337000      -1.223700    
 H   -1.629200     -0.4156000      -1.336900    
 H   -1.731100       1.270800      -1.838800    
 H   0.6364000      -2.010400      0.3745000    
 H    4.569500     -0.2742000      0.6715000    
 H   -3.719200       2.681700      -1.197000    
 H    1.567900      -3.877300     -0.9487000    
 H    5.488000      -2.141700     -0.6554000    
 H    3.993200      -3.947900      -1.466400    
 H   -6.189200       1.941100     -0.2039000    
 H    5.255300       2.278500     -0.6858000    
 H    5.497400       3.276600      0.7650000    
 H    4.467500       3.891700     -0.5473000    


%chk=000126578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126578

0 1
O 3.762728 2.294192 0.331089
O -1.256765 1.996350 1.093970
O 2.736629 1.690046 -1.671584
O -3.314622 -2.923487 -0.759841
O -1.592275 -1.486076 -1.219218
N 0.345809 1.281321 -0.435747
N -3.239111 0.722113 -0.570108
N -4.819239 -0.742808 0.201892
N -2.813942 -1.744427 -0.817315
C 1.480692 1.561003 0.452978
C 1.771201 0.399731 1.471827
C 2.322868 -0.866085 0.833084
C -2.014329 1.308405 -1.140622
C -0.942435 1.539684 -0.047087
C 2.695779 1.849818 -0.429453
C 1.472561 -1.777451 0.153405
C 3.712944 -1.148492 0.892718
C -3.619748 -0.621694 -0.404935
C -4.262537 1.472154 -0.005692
C 2.001298 -2.936440 -0.458120
C 4.243213 -2.309648 0.286131
C 3.387974 -3.206861 -0.394524
C -5.225811 0.557274 0.457764
C 5.026826 2.539179 -0.412390
H 1.233379 2.459040 1.049422
H 2.485806 0.797394 2.213947
H 0.816879 0.207962 1.994820
H 0.566455 0.886646 -1.355503
H -1.640920 0.661649 -1.946241
H -2.280888 2.295075 -1.559620
H 0.394081 -1.592029 0.100255
H 4.378513 -0.459698 1.428551
H -4.214725 2.556676 0.037606
H 1.326954 -3.626455 -0.976974
H 5.317634 -2.517310 0.349684
H 3.795784 -4.109348 -0.863635
H -6.166685 0.765964 0.960043
H 5.375545 1.600527 -0.873825
H 5.732338 2.898985 0.348612
H 4.863842 3.295719 -1.197463


