%chk=000065572.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065572

0 1
 O   -1.537200      -2.067700       1.441300    
 O   -2.331900      -2.899000     -0.5624000    
 O    5.408200       1.289500      0.8618000    
 O    5.631800     -0.8691000     -0.8549000    
 N   -2.352400       1.794000      6.1299998E-02
 N   0.7559000      -1.065600     -0.8161000    
 C   -2.584500      0.3969000      0.4645000    
 C   -1.681700     -0.5759000     -0.3694000    
 C   -3.063600      0.7221000      -2.046300    
 C   -4.091300      0.1076000      0.1601000    
 C   -2.090200     -0.4601000      -1.864000    
 C   -4.381500      0.3961000      -1.327600    
 C   -2.435200       1.971600      -1.395700    
 C  -0.2018000     -0.3042000     -0.1850000    
 C   -1.255400       2.521200      0.6967000    
 C   -5.037700      0.8960000       1.070300    
 C   -1.897800      -1.987300      0.1288000    
 C   0.4647000      0.6642000      0.5529000    
 C  -0.1777000       1.699700       1.415500    
 C    1.869500      0.4700000      0.3474000    
 C   -6.481000      0.5082000      0.8261000    
 C    2.017000     -0.6164000     -0.5133000    
 C    3.033900       1.116300      0.8156000    
 C    3.265300      -1.089500     -0.9339000    
 C   -1.692300      -3.356600       2.043700    
 C    4.290100      0.6556000      0.4048000    
 C    4.401800     -0.4314000     -0.4578000    
 C    5.899200       2.376900      8.1600003E-02
 C    6.255800      -1.863000     -4.6100002E-02
 H   -2.442800      0.2719000       1.544600    
 H   -3.247100      0.8983000      -3.111800    
 H   -4.283600     -0.9575000      0.3446000    
 H   -2.568400      -1.363100      -2.259000    
 H   -1.217100     -0.2844000      -2.505700    
 H   -5.064900       1.243000      -1.459300    
 H   -4.861600     -0.4756000      -1.788500    
 H   -1.446900       2.136300      -1.843800    
 H   -3.045100       2.856400      -1.610900    
 H   -1.705900       3.187600       1.443200    
 H  -0.7649000       3.192600     -2.0700000E-02
 H   -4.926400       1.976100      0.9209000    
 H   -4.788800      0.6916000       2.118600    
 H  -0.5949000       1.214400       2.306500    
 H   0.5809000       2.396900       1.791300    
 H   0.5575000      -1.846400      -1.426200    
 H   -6.829500      0.7927000     -0.1705000    
 H   -6.627600     -0.5702000      0.9464000    
 H   -7.128700       1.012900       1.551000    
 H    2.959600       1.965300       1.489700    
 H    3.345400      -1.937500      -1.606700    
 H   -1.063600      -4.091400       1.531800    
 H   -2.742800      -3.661500       2.019300    
 H   -1.371400      -3.285100       3.086200    
 H    6.169000       2.039500     -0.9242000    
 H    6.794600       2.771800      0.5693000    
 H    5.152300       3.174900      2.2600001E-02
 H    6.414700      -1.489800      0.9706000    
 H    7.227800      -2.102200     -0.4860000    
 H    5.649400      -2.774000     -2.1400001E-02


%chk=000065572-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065572

0 1
O -2.182112 -2.170907 1.463945
O -1.624028 -3.096136 -0.591604
O 5.424705 1.401046 0.865661
O 5.679441 -0.863926 -0.913223
N -2.309490 1.777951 0.004562
N 0.721559 -1.086287 -0.858347
C -2.618835 0.399098 0.428252
C -1.716239 -0.624383 -0.366907
C -3.052301 0.723366 -2.078437
C -4.118593 0.094651 0.134731
C -2.147871 -0.521729 -1.886425
C -4.402135 0.508450 -1.347654
C -2.351417 1.961286 -1.467440
C -0.237542 -0.300239 -0.183190
C -1.311970 2.565005 0.756928
C -5.046128 0.801698 1.148144
C -1.853028 -2.080963 0.114515
C 0.423961 0.680174 0.570315
C -0.207461 1.722713 1.462307
C 1.846083 0.491316 0.341404
C -6.541203 0.470573 0.949566
C 2.002349 -0.628886 -0.550346
C 3.006263 1.169070 0.799754
C 3.269009 -1.097862 -0.958919
C -2.208075 -3.542449 2.031384
C 4.270643 0.723791 0.382608
C 4.404363 -0.421279 -0.477616
C 6.154123 2.152793 -0.180100
C 6.544904 -1.391244 0.166959
H -2.432285 0.298191 1.508973
H -3.218019 0.894526 -3.158827
H -4.267739 -0.999890 0.249111
H -2.686122 -1.436344 -2.194402
H -1.252364 -0.438374 -2.528186
H -4.981612 1.452018 -1.373524
H -5.004583 -0.259486 -1.868040
H -1.327009 2.063753 -1.899938
H -2.911921 2.883949 -1.729977
H -1.804942 3.197305 1.527061
H -0.826581 3.254615 0.038812
H -4.879846 1.894052 1.065111
H -4.744827 0.510447 2.175728
H -0.637099 1.245815 2.365906
H 0.568556 2.419120 1.834048
H 0.488212 -1.921292 -1.396619
H -6.892915 0.771839 -0.054488
H -6.726314 -0.615444 1.057550
H -7.168580 0.995062 1.693651
H 2.951760 2.036219 1.465849
H 3.403996 -1.958313 -1.621167
H -1.209617 -4.003459 1.949896
H -2.941026 -4.165150 1.491896
H -2.497821 -3.404135 3.082170
H 6.491211 1.475893 -0.986375
H 7.019305 2.606211 0.328551
H 5.507532 2.946551 -0.602099
H 6.708392 -0.625681 0.946411
H 7.495579 -1.656821 -0.321077
H 6.086907 -2.294271 0.614967


