%chk=000045490.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045490

0 1
 O    3.862500      -2.551900      0.3979000    
 O    5.684100     -0.5582000     -0.2497000    
 O   -6.473800      -1.838400      0.7731000    
 O   -6.932000      0.1985000      9.4499998E-02
 N  -0.1745000       2.093000      0.3844000    
 N   -6.116400     -0.7331000      0.2985000    
 C   0.1477000      0.6560000      0.2398000    
 C    1.631500      0.3481000      0.1201000    
 C   0.5983000       2.923400     -0.5476000    
 C    2.113600       2.782400     -0.3856000    
 C    2.555900       1.352800     -0.2177000    
 C  -0.6173000      8.3300002E-02 -0.9643000    
 C    2.090400     -0.9633000      0.3239000    
 C  -4.1700002E-02   2.549200       1.768400    
 C    3.916500       1.034100     -0.3347000    
 C   -2.063200     -0.1318000     -0.6330000    
 C    3.444700      -1.271200      0.1967000    
 C    4.357100     -0.2731000     -0.1329000    
 C   -2.476500      -1.351400     -0.1070000    
 C   -2.980800      0.8904000     -0.8535000    
 C   -3.822000      -1.551100      0.2018000    
 C   -4.326300      0.6907000     -0.5447000    
 C   -4.746900     -0.5300000     -1.6799999E-02
 C    3.889200      -3.411700     -0.7397000    
 C    6.479900     -0.4366000      0.9280000    
 H  -0.2044000      0.1371000       1.143900    
 H   0.3153000       3.978000     -0.4373000    
 H   0.3235000       2.669400      -1.578300    
 H    2.446900       3.350300      0.4917000    
 H    2.602400       3.219000      -1.265000    
 H  -0.1959000     -0.8847000      -1.269900    
 H  -0.5221000      0.7038000      -1.863800    
 H    1.384900      -1.749800      0.5835000    
 H   0.9676000       2.415700       2.171700    
 H  -0.7392000       2.004900       2.415000    
 H  -0.3082000       3.608700       1.851600    
 H    4.635600       1.812600     -0.5800000    
 H   -1.764300      -2.152800      7.0400000E-02
 H   -2.667000       1.844100      -1.268800    
 H   -4.113300      -2.514600      0.6122000    
 H   -5.018600       1.508200     -0.7293000    
 H    2.883900      -3.525700      -1.157700    
 H    4.248100      -4.393400     -0.4188000    
 H    4.571200      -3.021500      -1.501800    
 H    7.509200     -0.7054000      0.6751000    
 H    6.121800      -1.117000       1.707100    
 H    6.467200      0.5948000       1.294400    


%chk=000045490-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045490

0 1
O 3.904784 -2.533706 0.544545
O 5.789240 -0.451225 -0.316005
O -6.812632 -1.875886 0.450488
O -7.066968 0.390656 0.478227
N -0.194342 2.147008 0.294108
N -6.347204 -0.674450 0.338675
C 0.129895 0.695970 0.261330
C 1.637242 0.409142 0.110067
C 0.539240 2.905839 -0.749644
C 2.076829 2.844183 -0.571160
C 2.548923 1.418264 -0.309058
C -0.688621 -0.037139 -0.864040
C 2.124619 -0.894254 0.374762
C -0.104147 2.745231 1.644961
C 3.922882 1.094131 -0.431707
C -2.165861 -0.193216 -0.550978
C 3.487155 -1.216715 0.235872
C 4.406371 -0.197636 -0.152057
C -2.737165 -1.488092 -0.417120
C -3.006951 0.942677 -0.382290
C -4.104338 -1.659124 -0.125658
C -4.374507 0.794037 -0.086436
C -4.907784 -0.509009 0.035864
C 4.489638 -3.277600 -0.596258
C 6.497264 -0.833378 0.929097
H -0.203639 0.268331 1.227449
H 0.189237 3.954214 -0.733057
H 0.268093 2.487817 -1.738010
H 2.376908 3.491768 0.278031
H 2.578895 3.255888 -1.467646
H -0.238920 -1.032680 -1.026064
H -0.550856 0.526261 -1.807073
H 1.446227 -1.693115 0.698097
H 0.909278 2.689391 2.107457
H -0.812853 2.232304 2.319304
H -0.397536 3.809194 1.590239
H 4.648935 1.855836 -0.738630
H -2.102013 -2.371986 -0.547924
H -2.555282 1.936027 -0.461047
H -4.556763 -2.649068 -0.024168
H -5.033034 1.656465 0.046934
H 3.723885 -3.433641 -1.379898
H 4.805114 -4.247471 -0.182552
H 5.353990 -2.736150 -1.020844
H 7.533163 -1.044895 0.623367
H 6.037291 -1.726647 1.388854
H 6.480921 0.008248 1.647398


