%chk=000039417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039417

0 1
 O   0.8787000      -1.557700     -0.5006000    
 O   0.8193000       4.146600     -5.4000001E-02
 N    1.512700      0.5376000      0.2821000    
 C    2.919300      0.2152000      0.2800000    
 C    3.211600     -0.9410000       1.239900    
 C    3.393900     -0.1056000      -1.139400    
 C    4.686300      -1.334700       1.212900    
 C    4.867900     -0.5019000      -1.163600    
 C    5.157800      -1.652000     -0.2033000    
 C    1.167100       1.902100      0.6962000    
 C   0.5751000     -0.4236000     -0.1278000    
 C    1.175300       2.843600     -0.4974000    
 C  -0.8566000     -1.5000000E-03 -0.1281000    
 C   -1.817200     -0.9231000      3.6400001E-02
 C   -3.262500     -0.6362000      2.3700001E-02
 C   -3.699200      0.6591000      0.2500000    
 C   -4.157000      -1.666900     -0.2150000    
 C   -5.067300      0.9311000      0.2374000    
 C   -5.525100      -1.395100     -0.2278000    
 C   -5.980200     -9.6100003E-02 -1.5000000E-03
 H    3.485800       1.089500      0.6277000    
 H    2.625300      -1.835800       1.010500    
 H    2.933600     -0.6514000       2.261100    
 H    3.245800      0.7664000      -1.788200    
 H    2.825400     -0.9204000      -1.597900    
 H    4.848900      -2.204100       1.860000    
 H    5.289600     -0.5154000       1.623000    
 H    5.482400      0.3647000     -0.8902000    
 H    5.157100     -0.7884000      -2.181100    
 H    6.232900      -1.863800     -0.1954000    
 H    4.655400      -2.559700     -0.5598000    
 H    1.870300       2.240600       1.467200    
 H   0.1885000       1.920100       1.187200    
 H   0.4609000       2.536700      -1.266600    
 H    2.164800       2.895700     -0.9629000    
 H   -1.081600       1.037600     -0.3229000    
 H    1.482800       4.425600      0.5999000    
 H   -1.550800      -1.966400      0.1910000    
 H   -3.027500       1.484800      0.4626000    
 H   -3.818000      -2.683700     -0.3943000    
 H   -5.422500       1.941300      0.4186000    
 H   -6.236100      -2.194800     -0.4138000    
 H   -7.045400      0.1154000     -1.0100000E-02


%chk=000039417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039417

0 1
O 0.808051 -1.622717 -0.202907
O 0.809298 4.254290 0.168761
N 1.540055 0.520525 0.369195
C 2.981163 0.127617 0.228828
C 3.410727 -0.917486 1.292688
C 3.350945 -0.335956 -1.203764
C 4.924182 -1.223359 1.181375
C 4.866483 -0.638265 -1.299882
C 5.301463 -1.685254 -0.246370
C 1.269550 1.896276 0.838344
C 0.530038 -0.409512 0.093827
C 1.150544 2.912739 -0.323855
C -0.887317 0.065192 0.137168
C -1.903858 -0.828256 -0.058315
C -3.347990 -0.551645 -0.078033
C -3.902340 0.750432 0.101082
C -4.244117 -1.639642 -0.287454
C -5.295759 0.950723 0.072252
C -5.640135 -1.440127 -0.316061
C -6.172823 -0.142872 -0.135862
H 3.556096 1.058312 0.425480
H 2.822679 -1.838473 1.133244
H 3.167070 -0.536752 2.304261
H 3.067193 0.449435 -1.932128
H 2.768057 -1.241017 -1.446978
H 5.201199 -1.997885 1.922348
H 5.510219 -0.314387 1.435813
H 5.447500 0.296085 -1.145059
H 5.107208 -0.996883 -2.319226
H 6.391882 -1.866131 -0.314538
H 4.797947 -2.649342 -0.462103
H 2.096693 2.201717 1.509206
H 0.351332 1.936858 1.447693
H 0.314915 2.636519 -0.987474
H 2.083633 2.922638 -0.925772
H -1.102619 1.126014 0.298762
H 1.578509 4.629058 0.667319
H -1.595582 -1.871121 -0.224455
H -3.241390 1.609630 0.261452
H -3.832572 -2.646696 -0.427724
H -5.703702 1.958271 0.210646
H -6.310456 -2.291308 -0.478441
H -7.256474 0.017154 -0.157646


