%chk=000154649.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154649

0 1
 O   -3.923200     -0.6469000     -0.1068000    
 O   0.8208000       5.442800      0.4265000    
 O   -1.172800       4.561300      0.6876000    
 O    6.981600     -0.9376000       2.541800    
 O    6.412400      0.7698000       1.284800    
 N    1.697500     -0.4746000      -1.512200    
 N   3.2000002E-02   4.470400      0.3501000    
 N   -2.704300      3.5300002E-02 -0.2249000    
 N    6.312200     -0.4396000       1.604500    
 C    1.481100      0.8153000      -1.082500    
 C   0.5410000      -1.201900      -1.424400    
 C   0.1382000      0.9043000     -0.7096000    
 C  -0.4424000     -0.3758000     -0.9310000    
 C    2.967000     -0.9865000      -1.986300    
 C    2.362300       1.899000     -0.9961000    
 C  -0.3514000       2.134100     -0.2264000    
 C    3.783400      -1.559700     -0.8596000    
 C   0.4816000      -2.625600      -1.821700    
 C   0.5186000       3.226600     -0.1345000    
 C    1.854100       3.108700     -0.5140000    
 C   -1.801500     -0.7767000     -0.6954000    
 C    4.658800     -0.7385000     -0.1620000    
 C    3.649100      -2.902100     -0.5319000    
 C    5.414400      -1.269900      0.8833000    
 C    4.404500      -3.433500      0.5132000    
 C    5.287000      -2.617400       1.220900    
 C   -4.887800      0.2591000      0.4070000    
 C   -6.203000     -0.4504000      0.5420000    
 C   -7.098300     -0.4490000     -0.5218000    
 C   -6.514500      -1.103300       1.729500    
 C   -8.321000      -1.108600     -0.3965000    
 C   -7.737100      -1.763200       1.854600    
 C   -8.640300      -1.765700      0.7916000    
 H    3.508300     -0.1690000      -2.477800    
 H    2.807400      -1.720300      -2.780900    
 H    3.397200       1.834900      -1.309300    
 H   -1.392700       2.219000      6.7199998E-02
 H    1.136000      -2.883600      -2.656300    
 H  -0.5271000      -2.891300      -2.156400    
 H   0.7137000      -3.269900     -0.9687000    
 H    2.541800       3.949600     -0.4542000    
 H   -2.075200      -1.822000     -0.9224000    
 H    4.763100      0.3022000     -0.4489000    
 H    2.992300      -3.560900      -1.088700    
 H    4.310500      -4.484400      0.7713000    
 H    5.860200      -3.066200       2.028100    
 H   -4.559200      0.6403000       1.382300    
 H   -4.987200       1.119800     -0.2667000    
 H   -6.858900      5.7799999E-02  -1.452600    
 H   -5.817500      -1.109400       2.562900    
 H   -9.024100      -1.111200      -1.224400    
 H   -7.985600      -2.275400       2.779500    
 H   -9.592100      -2.279800      0.8891000    


%chk=000154649-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154649

0 1
O -3.912912 -0.566360 -0.079792
O 0.776222 5.685301 -0.368151
O -1.272336 4.764590 0.025557
O 5.069436 -2.129857 3.697165
O 3.244925 -0.899470 3.097835
N 1.823622 -0.474428 -1.640452
N -0.028926 4.672605 -0.315196
N -2.640664 0.108747 -0.327045
N 4.274032 -1.623618 2.816045
C 1.561652 0.871178 -1.343578
C 0.647654 -1.234637 -1.437244
C 0.180483 0.970585 -0.955183
C -0.383032 -0.373218 -1.016560
C 3.115286 -1.007451 -2.076453
C 2.417594 1.995007 -1.387085
C -0.358544 2.227896 -0.610316
C 3.980392 -1.600145 -0.958793
C 0.629874 -2.713601 -1.688003
C 0.506766 3.339562 -0.666762
C 1.876279 3.244043 -1.044118
C -1.741979 -0.780042 -0.711130
C 3.712891 -1.340207 0.402036
C 5.091787 -2.412364 -1.304319
C 4.564001 -1.896234 1.380488
C 5.933045 -2.954060 -0.307706
C 5.675863 -2.699927 1.055688
C -4.902751 0.468594 0.351165
C -6.183659 -0.252952 0.698117
C -7.252751 -0.312966 -0.229991
C -6.328534 -0.890330 1.956872
C -8.448076 -0.994597 0.092808
C -7.519709 -1.575193 2.281958
C -8.583339 -1.627697 1.350013
H 3.668592 -0.189452 -2.574815
H 2.943105 -1.777005 -2.851204
H 3.472626 1.911886 -1.666034
H -1.402758 2.337515 -0.311850
H 0.773169 -2.954147 -2.759925
H -0.336967 -3.143619 -1.384059
H 1.420884 -3.238553 -1.120171
H 2.482893 4.152608 -1.054701
H -2.017946 -1.842429 -0.800263
H 2.865771 -0.723563 0.715272
H 5.300999 -2.623842 -2.360414
H 6.785715 -3.578234 -0.592830
H 6.302906 -3.105145 1.853740
H -4.476483 1.004139 1.219408
H -5.043155 1.184976 -0.479097
H -7.147026 0.174633 -1.206734
H -5.504193 -0.849654 2.678783
H -9.269787 -1.030925 -0.631071
H -7.621863 -2.062625 3.257957
H -9.510171 -2.154917 1.603037


