%chk=000158902.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158902

0 1
 O    1.287900      0.3195000      0.9798000    
 O   0.8711000       1.135300      -1.158300    
 N  -0.6410000       1.444100      0.5752000    
 C   -3.456400      0.4358000      0.2532000    
 C   -4.535300     -0.4236000     -0.4106000    
 C   -2.688000       1.258700     -0.7864000    
 C   -5.355000      -1.245200      0.5867000    
 C   -1.643600       2.172600     -0.1527000    
 C   -6.474100      -2.046300     -6.0500000E-02
 C   0.5361000      0.9830000      1.2700000E-02
 C    2.500400     -0.1826000      0.4977000    
 C    3.618100      0.6188000      0.5588000    
 C    2.527700      -1.458200     -1.9200001E-02
 C    4.827600      0.1180000      7.7100001E-02
 C    3.737300      -1.959100     -0.5008000    
 C    4.887100      -1.170800     -0.4526000    
 H   -3.922800       1.109000      0.9826000    
 H   -2.768900     -0.2155000      0.8054000    
 H   -5.213100      0.2260000     -0.9785000    
 H   -4.066600      -1.101500      -1.134700    
 H   -3.391900       1.874300      -1.359100    
 H   -2.201000      0.5801000      -1.497700    
 H   -5.792000     -0.5749000       1.336400    
 H   -4.690000      -1.931700       1.124000    
 H   -2.118000       2.866100      0.5497000    
 H   -1.155400       2.766500     -0.9331000    
 H   -7.181300      -1.385900     -0.5721000    
 H   -6.073300      -2.753900     -0.7931000    
 H   -7.023600      -2.613400      0.6972000    
 H  -0.8052000       1.251900       1.558700    
 H    3.571500       1.621500      0.9715000    
 H    1.632900      -2.071400     -5.6000002E-02
 H    5.722900      0.7317000      0.1147000    
 H    3.783800      -2.962700     -0.9132000    
 H    5.828900      -1.560800     -0.8276000    


%chk=000158902-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158902

0 1
O 1.317293 0.575733 0.357349
O 0.697070 0.963255 -1.923143
N -0.646565 1.578504 -0.100168
C -3.567008 0.527446 0.110065
C -4.679656 -0.503909 -0.184790
C -2.876624 1.053311 -1.167563
C -5.361068 -1.047915 1.091710
C -1.770411 2.100698 -0.896229
C -6.466557 -2.082530 0.789382
C 0.467347 1.035168 -0.691723
C 2.585364 -0.040085 0.154276
C 3.189038 -0.479216 1.355496
C 3.227290 -0.211550 -1.095078
C 4.453877 -1.100775 1.310848
C 4.495614 -0.838135 -1.116408
C 5.114715 -1.283943 0.072626
H -3.999490 1.380531 0.675530
H -2.810242 0.058179 0.772558
H -5.447134 -0.041883 -0.840512
H -4.250072 -1.350991 -0.758989
H -3.633186 1.521005 -1.830311
H -2.436873 0.209445 -1.734189
H -5.791420 -0.201137 1.664949
H -4.592013 -1.507240 1.745914
H -2.194577 2.971066 -0.360072
H -1.353394 2.458892 -1.853481
H -7.262568 -1.640476 0.160652
H -6.055455 -2.953530 0.245144
H -6.937503 -2.455719 1.717328
H -0.703722 1.543227 0.917622
H 2.660137 -0.327064 2.301273
H 2.747674 0.128073 -2.013647
H 4.920818 -1.440777 2.241738
H 4.999074 -0.975368 -2.080023
H 6.097028 -1.766889 0.037065


