%chk=000059747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059747

0 1
 O    1.009900       2.023800      -1.141700    
 O   -5.518900      0.8653000     -8.6000003E-02
 O    7.974200      -2.205300      6.7000002E-02
 N   -3.560700      0.7924000       1.155400    
 N    5.588700     -0.7241000      0.4103000    
 C   -1.352700       2.704700      0.4418000    
 C   -2.831000       3.078200      0.5901000    
 C  -0.6292000       3.672600     -0.5000000    
 C   -3.567900       2.168900       1.568500    
 C   0.8521000       3.342700     -0.6391000    
 C    2.138900       1.346400     -0.7592000    
 C   -4.552300      0.2451000      0.3494000    
 C    4.427700     -2.7100001E-02  1.5600000E-02
 C    3.304400       2.052300     -0.4855000    
 C    2.105200     -3.8600001E-02 -0.6497000    
 C   -4.414700      -1.199800      3.2699998E-02
 C    4.453100       1.363000     -9.6699998E-02
 C    3.253900     -0.7279000     -0.2609000    
 C    5.631600      -2.147200      0.5467000    
 C   -5.550500      -1.931500     -0.2451000    
 C   -3.155800      -1.763400      2.7000001E-02
 C    7.001700      -2.599300       1.026100    
 C   -5.421500      -3.288300     -0.5422000    
 C   -3.026700      -3.120200     -0.2700000    
 C   -4.159700      -3.882600     -0.5545000    
 H  -0.8696000       2.722900       1.426200    
 H   -1.266200       1.682100      5.6899998E-02
 H   -2.913000       4.113300      0.9428000    
 H   -3.316500       3.033100     -0.3925000    
 H   -1.102100       3.617400      -1.488300    
 H  -0.7384000       4.701600     -0.1386000    
 H   -3.100400       2.215500       2.558000    
 H   -4.604700       2.506800       1.673700    
 H    1.309400       3.462600      0.3519000    
 H    1.316700       4.049700      -1.335900    
 H   -2.823100      0.2103000       1.536800    
 H    3.374400       3.130700     -0.5893000    
 H    1.192200     -0.5872000     -0.8638000    
 H    5.363500       1.919800      0.1100000    
 H    3.190000      -1.809300     -0.1874000    
 H    6.423200     -0.1761000      0.5887000    
 H    4.885600      -2.490500       1.272800    
 H    5.422900      -2.618800     -0.4212000    
 H   -6.540400      -1.485400     -0.2345000    
 H   -2.247200      -1.198600      0.2073000    
 H    7.261400      -2.136700       1.983500    
 H    7.041500      -3.686700       1.141800    
 H   -6.303500      -3.882400     -0.7629000    
 H   -2.043700      -3.581600     -0.2880000    
 H   -4.059100      -4.938600     -0.7874000    
 H    7.752700      -2.642200     -0.7730000    


%chk=000059747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059747

0 1
O 1.055766 1.770987 -0.425195
O -6.038015 0.904345 -0.389420
O 8.704190 -1.715943 0.043555
N -4.069225 1.069032 0.842464
N 6.001843 -0.879335 0.406728
C -1.580431 2.871624 0.429328
C -3.031861 3.219598 0.032269
C -0.533250 3.591137 -0.448502
C -4.099637 2.538929 0.921694
C 0.909714 3.201668 -0.114245
C 2.319319 1.180995 -0.197926
C -5.033495 0.344616 0.156905
C 4.787687 -0.211728 0.185926
C 3.444242 1.857254 0.337226
C 2.433525 -0.184903 -0.543907
C -4.840120 -1.152916 0.113937
C 4.657943 1.164604 0.526198
C 3.647086 -0.874465 -0.359673
C 6.265441 -2.235878 -0.059165
C -5.982137 -1.949778 -0.154573
C -3.582139 -1.785860 0.296571
C 7.655043 -2.681375 0.425533
C -5.876676 -3.354793 -0.212262
C -3.475794 -3.192959 0.233665
C -4.623329 -3.981478 -0.013609
H -1.412817 3.138722 1.494829
H -1.413845 1.780961 0.339515
H -3.182942 4.317104 0.096587
H -3.211539 2.932314 -1.021988
H -0.722882 3.363862 -1.515527
H -0.631796 4.689516 -0.328957
H -3.960844 2.844540 1.977869
H -5.111167 2.844985 0.603398
H 1.128033 3.375941 0.961835
H 1.630298 3.789473 -0.721141
H -3.324916 0.570304 1.329704
H 3.391768 2.915047 0.612317
H 1.560946 -0.693270 -0.967075
H 5.518648 1.697087 0.949994
H 3.703826 -1.929090 -0.647143
H 6.839711 -0.314036 0.563913
H 5.511435 -2.939949 0.350060
H 6.207687 -2.316436 -1.173221
H -6.936453 -1.439651 -0.321589
H -2.670368 -1.194556 0.448022
H 7.689260 -2.689930 1.527028
H 7.884557 -3.697482 0.045963
H -6.766585 -3.961135 -0.413966
H -2.499342 -3.671678 0.366922
H -4.539425 -5.072996 -0.061128
H 8.808460 -1.721219 -0.942145


