%chk=000126953.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126953

0 1
 O   -3.559300       2.316900      -2.710200    
 O   -3.664500      0.2339000     -0.8713000    
 O    3.500300      0.9074000      -2.430700    
 O    5.016200      -3.474700      0.6601000    
 O    5.003500      -2.771500      -1.419400    
 N    2.301500       2.325400       1.504800    
 N   -1.175000       2.528000      0.1135000    
 N    3.017200       1.646700      -1.364700    
 N    3.991100     -0.3218000      -2.025300    
 N    4.747600      -2.595700     -0.1997000    
 C   0.8599000       2.510600       1.598500    
 C   0.2652000       2.300900      0.1871000    
 C   0.3113000       1.479200       2.594700    
 C   0.6060000       3.929800       2.122700    
 C   -1.656100       2.361100      -1.250000    
 C    2.887200       1.156800       1.066500    
 C   -3.173300       2.534900      -1.350100    
 C   -3.952900       1.567300     -0.4624000    
 C    3.200900      0.8863000     -0.2782000    
 C    3.220900      0.1227000       1.960000    
 C    3.820100     -0.3651000     -0.6981000    
 C    3.823700      -1.095900       1.551000    
 C    4.145700      -1.386700      0.2129000    
 C   -4.272700     -0.7707000     -0.1672000    
 C   -3.515500      -1.728300      0.5080000    
 C   -5.665800     -0.8298000     -0.1296000    
 C   -2.023500      -1.680800      0.4789000    
 C   -4.151800      -2.744600       1.220800    
 C   -6.301900      -1.846000      0.5833000    
 C   -5.545000      -2.803400       1.258400    
 C   -1.432600      -2.459600     -0.6667000    
 C  -0.6282000      -1.933500      -1.597300    
 H   0.4535000       1.274400     -0.1482000    
 H   0.7675000       2.979600     -0.5148000    
 H   0.3925000      0.4535000       2.218400    
 H   0.8387000       1.529000       3.554500    
 H  -0.7508000       1.658100       2.798500    
 H    1.124800       4.099200       3.074000    
 H   0.9735000       4.682900       1.416000    
 H  -0.4579000       4.119100       2.298800    
 H    2.826400       2.764800       2.258300    
 H   -1.400600       3.467900      0.4351000    
 H   -1.177100       3.089100      -1.918000    
 H   -1.381700       1.372800      -1.639200    
 H   -3.441600       3.566000      -1.090500    
 H   -3.698700       1.701300      0.5954000    
 H   -5.022500       1.769000     -0.5914000    
 H    3.020400      0.2513000       3.023700    
 H    4.039000      -1.824100       2.332800    
 H   -4.519100       2.461500      -2.768900    
 H   -6.274100     -0.1057000     -0.6641000    
 H   -1.675800     -0.6401000      0.4692000    
 H   -1.625600      -2.096600       1.414200    
 H   -3.575300      -3.498600       1.750300    
 H   -7.386700      -1.894700      0.6089000    
 H   -6.040400      -3.595500       1.812100    
 H   -1.665700      -3.520200     -0.7250000    
 H  -0.3509000     -0.8859000      -1.581700    
 H  -0.2291000      -2.553600      -2.392600    


%chk=000126953-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126953

0 1
O -3.264305 1.685370 -2.901948
O -3.309119 0.293433 -0.446154
O 2.705621 -0.913523 -1.331370
O 7.619122 -1.083309 1.627094
O 6.654339 -2.004920 -0.236954
N 1.919019 1.853360 2.088129
N -0.853531 2.997897 -0.300143
N 2.110152 0.008780 -0.420558
N 4.062373 -1.278563 -0.940871
N 6.625854 -1.229633 0.799744
C 0.501814 2.007660 1.604542
C 0.507667 2.714378 0.195874
C -0.242992 0.653155 1.581588
C -0.179000 2.947559 2.628421
C -1.322357 2.205688 -1.460741
C 2.992614 1.087840 1.695146
C -2.856292 2.313400 -1.643030
C -3.647456 1.728436 -0.464496
C 3.060797 0.222727 0.525623
C 4.181522 1.123598 2.479325
C 4.260584 -0.560781 0.205532
C 5.336616 0.373083 2.172379
C 5.409572 -0.476494 1.056497
C -4.106819 -0.591036 0.297977
C -3.888570 -1.973227 0.025929
C -5.047087 -0.169790 1.266340
C -2.886710 -2.402048 -1.040572
C -4.637876 -2.915133 0.765397
C -5.785646 -1.138064 1.985161
C -5.582800 -2.512707 1.740099
C -3.310947 -2.040731 -2.458296
C -2.500950 -1.488664 -3.398957
H 1.052784 2.073841 -0.519708
H 1.083674 3.655019 0.305737
H 0.220138 -0.065419 0.888242
H -0.268331 0.211328 2.593862
H -1.279591 0.821871 1.245680
H -0.256440 2.473848 3.624341
H 0.364480 3.908456 2.725754
H -1.196296 3.170016 2.267988
H 2.112122 2.409801 2.926571
H -1.029948 4.001179 -0.420239
H -0.853885 2.514499 -2.422064
H -1.057626 1.147905 -1.288889
H -3.141881 3.377713 -1.755924
H -3.348431 2.207580 0.488357
H -4.733365 1.853029 -0.640099
H 4.195702 1.759800 3.372064
H 6.219517 0.434056 2.815602
H -3.180088 0.695298 -2.801169
H -5.202567 0.894196 1.469181
H -1.892472 -1.958490 -0.844110
H -2.769326 -3.503083 -0.982136
H -4.479857 -3.982641 0.569205
H -6.514523 -0.812490 2.735651
H -6.151606 -3.263932 2.297657
H -4.352567 -2.285828 -2.717499
H -1.452247 -1.246360 -3.183134
H -2.849685 -1.304636 -4.421530


