%chk=000038892.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038892

0 1
 O    6.579100      -2.831100      -1.177300    
 O    6.353500       3.141000     -0.7892000    
 O   -3.415500       3.170200     -3.1900000E-02
 O   -1.439800       2.228300     -0.2009000    
 O   -7.278700      -1.677600     -0.1589000    
 O   -7.406900      0.5083000     -2.7000001E-03
 N    4.932700      1.7000000E-03  0.4849000    
 N  -0.6532000     -0.2913000      0.7649000    
 N   -1.141500     -0.2282000     -0.3872000    
 N   -2.689600       2.154100     -0.1403000    
 N   -6.736700     -0.5469000     -0.1111000    
 C    3.526300     -7.7399999E-02  0.5547000    
 C    5.730800      -1.203100      0.3716000    
 C    5.599100       1.287600      0.5394000    
 C    2.893600      -1.319500      0.5027000    
 C    1.502500      -1.397100      0.5731000    
 C    2.768100       1.087000      0.6772000    
 C    5.764700      -1.669900      -1.073700    
 C    5.730700       1.864500     -0.8598000    
 C   0.7441000     -0.2326000      0.6950000    
 C    1.377000       1.009400      0.7473000    
 C   0.8474000      -2.738300      0.5154000    
 C   -2.543900     -0.2875000     -0.3166000    
 C   -3.305300      0.8727000     -0.1960000    
 C   -3.165400      -1.533100     -0.3695000    
 C   -4.695900      0.7870000     -0.1282000    
 C   -5.321200     -0.4588000     -0.1813000    
 C   -4.556100      -1.619100     -0.3015000    
 H    5.411900      -1.996400       1.058500    
 H    6.764800      -1.005700      0.6858000    
 H    6.611600       1.163100      0.9479000    
 H    5.148600       1.997000       1.242600    
 H    3.440600      -2.251300      0.4095000    
 H    3.194900       2.082800      0.7109000    
 H    4.775800      -1.912400      -1.472500    
 H    6.201500     -0.9148000      -1.730800    
 H    6.343700       1.235000      -1.509200    
 H    4.756800       1.993900      -1.341200    
 H   0.8087000       1.926500      0.8613000    
 H    1.575200      -3.552800      0.5989000    
 H   0.1387000      -2.859700       1.341500    
 H   0.3178000      -2.861400     -0.4348000    
 H    6.176800      -3.520400     -0.6215000    
 H    7.231500       3.017600     -0.3898000    
 H   -2.577600      -2.442500     -0.4642000    
 H   -5.296100       1.689100     -3.4000002E-02
 H   -5.008600      -2.606400     -0.3456000    


%chk=000038892-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038892

0 1
O 7.204785 -2.930909 -0.622738
O 6.122651 3.225629 -1.322383
O -3.984240 3.354116 0.987961
O -2.210192 2.241197 1.903901
O -7.302360 -1.527483 -1.311924
O -7.726811 0.543834 -0.443629
N 5.019737 0.015160 0.402364
N -0.590706 -0.766763 0.436624
N -1.361925 0.290814 0.283416
N -3.263149 2.292172 1.158619
N -6.926344 -0.423539 -0.750212
C 3.635169 -0.157537 0.386614
C 5.938880 -1.135380 0.529364
C 5.624305 1.354471 0.231700
C 3.043938 -1.457074 0.538689
C 1.654941 -1.653985 0.563367
C 2.746766 0.967189 0.242462
C 6.186643 -1.891461 -0.804146
C 5.708756 1.822267 -1.247002
C 0.790688 -0.514712 0.409821
C 1.367605 0.785752 0.257994
C 1.080244 -3.046160 0.733540
C -2.735104 0.035086 0.141901
C -3.685971 1.059169 0.461818
C -3.235085 -1.158090 -0.468332
C -5.050628 0.930851 0.156089
C -5.491762 -0.264437 -0.441717
C -4.594973 -1.319417 -0.749113
H 5.561068 -1.839061 1.296071
H 6.914158 -0.768922 0.893262
H 6.639730 1.329389 0.668375
H 5.055141 2.110590 0.801009
H 3.680205 -2.339293 0.649346
H 3.141253 1.980131 0.130395
H 5.240166 -2.304561 -1.207515
H 6.614438 -1.208836 -1.556263
H 6.384348 1.162069 -1.829695
H 4.710710 1.797034 -1.713283
H 0.689622 1.640277 0.169328
H 1.873046 -3.777880 0.965051
H 0.327370 -3.066482 1.539469
H 0.560555 -3.376422 -0.184362
H 6.820595 -3.698381 -0.129183
H 7.087257 3.307245 -1.114756
H -2.508666 -1.937700 -0.715844
H -5.753020 1.734297 0.390951
H -4.987335 -2.232753 -1.204003


