%chk=000040112.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040112

0 1
 O    4.262300       1.670800     -0.9701000    
 O   -5.091500       1.165200      0.8768000    
 N    4.424300     -0.5884000       1.932500    
 C   2.6600000E-02  0.3394000      0.2492000    
 C    1.516400      0.3049000     -0.2646000    
 C  -0.8428000     -0.7950000     -0.3921000    
 C   -2.246500     -0.7148000      0.2147000    
 C    2.071800      -1.122500      3.7999999E-02
 C   -2.924000      0.6367000     -9.3699999E-02
 C  -0.6572000       1.729800      0.1439000    
 C  -0.2071000      -2.175900     -0.1836000    
 C    1.249900      -2.223400     -0.6424000    
 C   -2.126400       1.731800      0.6076000    
 C    2.385800       1.333600      0.5236000    
 C   -3.298300      -1.753700     -0.1577000    
 C    3.571400      -1.257800     -0.2750000    
 C    1.569300      0.6449000      -1.776300    
 C    3.905100       1.193200      0.3260000    
 C   -4.297400      0.3260000      0.4733000    
 C    4.420100     -0.2423000      0.5078000    
 C   -4.582400      -1.166400      0.4467000    
 C   -3.129400      0.9638000      -1.584500    
 H   6.8200000E-02  0.1213000       1.328600    
 H  -0.9204000     -0.6376000      -1.472400    
 H   -2.122200     -0.8035000       1.308200    
 H    1.963400      -1.293300       1.120000    
 H  -0.6114000       2.096500     -0.8865000    
 H  -0.1151000       2.459300      0.7557000    
 H  -0.7745000      -2.937500     -0.7312000    
 H  -0.2565000      -2.449800      0.8781000    
 H    1.664000      -3.207100     -0.3897000    
 H    1.304700      -2.135100      -1.733200    
 H   -2.162300       1.589200       1.695600    
 H   -2.570800       2.716800      0.4194000    
 H    2.171800       1.226500       1.595300    
 H    2.090200       2.352500      0.2450000    
 H   -3.082600      -2.740800      0.2627000    
 H   -3.389300      -1.866500      -1.243500    
 H    3.906800      -2.275500     -3.4100000E-02
 H    3.752700      -1.137600      -1.349200    
 H   0.8658000      5.5000000E-02  -2.368500    
 H    1.333800       1.699800      -1.953100    
 H    2.552800      0.4643000      -2.215300    
 H    4.414900       1.857500       1.035400    
 H    5.450600     -0.3072000      0.1374000    
 H   -4.730100      -1.515900       1.472600    
 H   -5.455600      -1.388400     -0.1704000    
 H   -3.749900      0.2191000      -2.094400    
 H   -3.649200       1.923600      -1.692800    
 H   -2.189200       1.040000      -2.136700    
 H    5.041700      4.6000000E-02   2.437500    
 H    4.809400      -1.523800       2.056700    
 H    3.961000       2.592700      -1.038700    


%chk=000040112-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040112

0 1
O 4.388610 1.672407 -0.981704
O -5.141413 1.233651 0.966914
N 4.425491 -0.570923 1.947310
C 0.037141 0.323923 0.232518
C 1.524931 0.299924 -0.296950
C -0.833921 -0.816419 -0.402981
C -2.249130 -0.734799 0.204061
C 2.107258 -1.126226 0.022003
C -2.935284 0.641536 -0.045869
C -0.644957 1.720855 0.126500
C -0.189291 -2.204718 -0.169979
C 1.283221 -2.255048 -0.634086
C -2.111017 1.747871 0.641898
C 2.378191 1.324396 0.515438
C -3.337220 -1.775287 -0.177415
C 3.614293 -1.224518 -0.303615
C 1.582895 0.631160 -1.814703
C 3.910571 1.221871 0.347216
C -4.347619 0.376598 0.509236
C 4.459409 -0.215639 0.506830
C -4.634736 -1.140312 0.402295
C -3.156828 0.969263 -1.558151
H 0.099403 0.081927 1.320710
H -0.907980 -0.652302 -1.498363
H -2.118821 -0.814728 1.310001
H 2.014024 -1.248498 1.123774
H -0.625623 2.071511 -0.923311
H -0.061516 2.459221 0.708141
H -0.781012 -2.984391 -0.689005
H -0.233200 -2.439308 0.915634
H 1.726034 -3.236245 -0.367399
H 1.336679 -2.180033 -1.739252
H -2.124245 1.580624 1.738003
H -2.561254 2.743239 0.466156
H 2.172544 1.168359 1.593951
H 2.070306 2.363644 0.275419
H -3.136760 -2.773770 0.247438
H -3.406512 -1.892737 -1.275567
H 3.972773 -2.253489 -0.088069
H 3.797650 -1.047571 -1.379231
H 0.926934 -0.027602 -2.410036
H 1.261962 1.673384 -2.001027
H 2.609995 0.536320 -2.201697
H 4.381981 1.868386 1.123558
H 5.492090 -0.204081 0.086130
H -4.851538 -1.515631 1.421361
H -5.545091 -1.319080 -0.197919
H -3.742240 0.188576 -2.076294
H -3.710525 1.921340 -1.646142
H -2.198347 1.077157 -2.092346
H 5.020216 0.026536 2.532814
H 4.612307 -1.564750 2.120066
H 3.951872 2.534823 -1.195667


