%chk=000055841.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055841

0 1
 O    5.288900      -1.398100      2.4400000E-02
 O    3.513300      -2.696300      3.0500000E-02
 N    4.049000      -1.565500      2.2200000E-02
 C   -2.471300     -0.7339000     -2.9999999E-02
 C   -3.215400      0.4637000      3.1999999E-03
 C   -3.195700      -2.068800     -2.6799999E-02
 C   -4.725300      0.4753000     -3.5000001E-03
 C   -1.045200     -0.6838000     -1.2600000E-02
 C   -4.685100      -1.986600     -0.3565000    
 C   -5.339600     -0.8545000      0.4157000    
 C  -0.3950000      0.5777000     -1.2600000E-02
 C   -1.154500       1.768700     -1.5900001E-02
 C    1.024500      0.6645000     -7.1999999E-03
 C   -2.550300       1.696300     -7.4999998E-03
 C    1.807600     -0.5107000      5.9000002E-03
 C  -0.2267000      -1.833600      9.3000000E-03
 C    1.665400       1.927200     -1.3700000E-02
 C  -0.5044000       3.010100     -2.2399999E-02
 C    1.167700      -1.751000      1.6899999E-02
 C   0.8872000       3.089000     -2.2500001E-02
 C    3.207100     -0.4144000      1.0400000E-02
 C    3.066400       1.994300     -9.6000005E-03
 C    3.831400      0.8305000      2.2000000E-03
 H   -2.740400      -2.744600     -0.7599000    
 H   -3.075000      -2.515500      0.9683000    
 H   -5.095300       1.257500      0.6705000    
 H   -5.059100      0.7282000      -1.017800    
 H   -4.819100      -1.822900      -1.433500    
 H   -5.168100      -2.940300     -0.1159000    
 H   -5.202500      -1.011700       1.493000    
 H   -6.418600     -0.8394000      0.2259000    
 H   -3.138700       2.613300     -6.6000000E-03
 H  -0.6667000      -2.828700      2.6400000E-02
 H   -1.077700       3.935200     -2.5900001E-02
 H    1.579600      -2.744000      3.5999998E-02
 H    1.355600       4.071000     -2.7200000E-02
 H    3.574700       2.956300     -1.4800000E-02
 H    4.912400      0.9457000      5.1000002E-03


%chk=000055841-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055841

0 1
O 5.475905 -1.314316 0.020813
O 3.750517 -2.787975 0.028506
N 4.203751 -1.572728 0.020369
C -2.520972 -0.735068 -0.025880
C -3.266050 0.477551 -0.012754
C -3.232123 -2.087322 -0.033505
C -4.793357 0.487400 -0.010663
C -1.084888 -0.679922 -0.010462
C -4.740156 -2.003865 -0.358940
C -5.407301 -0.857636 0.426821
C -0.395447 0.584792 -0.011165
C -1.169609 1.801410 -0.015045
C 1.044388 0.646695 -0.005167
C -2.582640 1.714752 -0.007422
C 1.833047 -0.573186 0.008575
C -0.270264 -1.869289 0.013186
C 1.689671 1.940403 -0.011721
C -0.491489 3.075537 -0.018042
C 1.114967 -1.828838 0.023069
C 0.889454 3.141542 -0.018936
C 3.264463 -0.428073 0.009725
C 3.109910 2.011057 -0.009731
C 3.883216 0.847262 -0.000067
H -2.741901 -2.765532 -0.757493
H -3.102309 -2.561926 0.962338
H -5.151689 1.309019 0.638597
H -5.150736 0.727307 -1.034159
H -4.879721 -1.826471 -1.444159
H -5.218819 -2.973378 -0.126824
H -5.248910 -1.012195 1.512850
H -6.499526 -0.847572 0.254196
H -3.166855 2.644311 0.003283
H -0.755543 -2.849440 0.030883
H -1.094417 3.991051 -0.020600
H 1.689434 -2.753348 0.041609
H 1.403966 4.108805 -0.023561
H 3.598600 2.991205 -0.015861
H 4.974532 0.888181 0.000838


