%chk=000011018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011018

1 1
 O   0.9283000      -1.051400      0.2798000    
 O   -1.096600     -0.4537000       1.920300    
 O  -0.7277000      -2.345500     -0.6533000    
 N    3.780300     -0.4088000      0.7514000    
 C    3.074800     -0.5254000     -0.6276000    
 C    5.271800     -0.1373000      0.4147000    
 C    4.202000     -0.8922000      -1.580400    
 C    5.329800     -6.8000001E-03  -1.096500    
 C    3.195400      0.7555000       1.540400    
 C    3.691500      -1.671400       1.603500    
 C    1.902500      -1.491500     -0.6517000    
 C  -0.3795000      -1.356400     -1.9600000E-02
 C   -1.327300     -0.2761000      0.5079000    
 C   -2.800700     -0.5251000      0.1765000    
 C  -0.9050000       1.134600      9.0999998E-02
 C   -3.119100      -1.048400      -1.055400    
 C   -1.038600       2.157900       1.001100    
 C   -3.749800     -0.2164000       1.123500    
 C  -0.4076000       1.325600      -1.177500    
 C   -4.461800      -1.275500      -1.357300    
 C  -0.6536000       3.443700      0.6214000    
 C   -5.092500     -0.4437000      0.8214000    
 C  -2.2500001E-02   2.611400      -1.557100    
 C   -5.448400     -0.9733000     -0.4190000    
 C  -0.1455000       3.670400     -0.6576000    
 H    2.716200      0.4848000     -0.8669000    
 H    5.861100     -0.9960000      0.7549000    
 H    5.607000      0.7656000      0.9345000    
 H    3.941700     -0.6909000      -2.623800    
 H    4.473900      -1.950700      -1.491900    
 H    6.301100     -0.3090000      -1.498200    
 H    5.152800       1.034300      -1.392300    
 H    3.304300       1.669200      0.9485000    
 H    3.753100      0.8472000       2.477400    
 H    2.142900      0.5546000       1.749200    
 H    4.052700      -2.518800       1.014200    
 H    2.658700      -1.822500       1.925400    
 H    4.326500      -1.529500       2.484100    
 H    2.200500      -2.515900     -0.4056000    
 H    1.482300      -1.508200      -1.665600    
 H  -0.2155000     -0.1039000       2.139700    
 H   -2.389100      -1.236000      -1.834400    
 H   -1.441900       2.007400       1.997200    
 H   -3.495300      0.2046000       2.090700    
 H  -0.3175000      0.5194000      -1.898300    
 H   -4.740700      -1.673700      -2.328600    
 H  -0.7518000       4.268900       1.320700    
 H   -5.861200     -0.2057000       1.550700    
 H   0.3703000       2.788600      -2.554000    
 H   -6.494200      -1.146400     -0.6556000    
 H   0.1532000       4.671700     -0.9537000    


%chk=000011018-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000011018

1 1
O 0.817535 -1.259441 0.941803
O -1.473393 -0.464175 2.030043
O -0.142595 -1.543363 -1.164835
N 3.672249 -0.065750 0.455740
C 2.962273 -1.247129 -0.339320
C 5.152943 -0.068268 -0.051509
C 4.123865 -2.065020 -0.933719
C 5.174094 -0.988570 -1.282621
C 2.990664 1.260060 0.113903
C 3.651133 -0.247220 1.968602
C 1.962274 -2.073522 0.472343
C -0.236095 -1.082540 -0.015652
C -1.349633 -0.186793 0.590222
C -2.719420 -0.501453 -0.022309
C -0.856315 1.261539 0.324633
C -3.603478 0.527307 -0.421402
C -0.707802 2.167792 1.400833
C -3.142386 -1.851757 -0.104788
C -0.569622 1.691732 -0.998042
C -4.891285 0.208893 -0.907952
C -0.260483 3.489063 1.161055
C -4.425424 -2.169954 -0.592597
C -0.124721 3.011225 -1.234714
C -5.304538 -1.138264 -0.998531
C 0.038292 3.913045 -0.154745
H 2.415911 -0.740518 -1.153902
H 5.772386 -0.478938 0.762238
H 5.455519 0.972106 -0.245081
H 3.787795 -2.630313 -1.817853
H 4.523909 -2.792898 -0.202127
H 6.179641 -1.408158 -1.444528
H 4.887089 -0.443905 -2.199619
H 3.098607 1.451929 -0.964368
H 3.471450 2.068094 0.687298
H 1.923398 1.198752 0.374592
H 4.105944 -1.213100 2.234516
H 2.612865 -0.199844 2.326694
H 4.240015 0.566512 2.420352
H 2.390472 -2.525689 1.379609
H 1.590071 -2.874548 -0.192209
H -0.564277 -0.578140 2.416014
H -3.299448 1.576242 -0.348619
H -0.986859 1.846519 2.409160
H -2.476873 -2.657793 0.225656
H -0.722514 1.007036 -1.840738
H -5.571166 1.012220 -1.210594
H -0.171321 4.191433 1.996969
H -4.742802 -3.216214 -0.653469
H 0.069737 3.343377 -2.260420
H -6.302517 -1.383751 -1.376991
H 0.366138 4.941451 -0.340821


