%chk=000122843.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122843

0 1
 O    2.598600      -1.727300     -9.7700000E-02
 O   -2.164100      -1.220300      3.8800001E-02
 O    3.287900       1.608700       1.330500    
 O   0.6732000       2.689100      0.1520000    
 O  -0.1939000       4.800100      0.2580000    
 C    4.109200      0.1790000     -0.4414000    
 C    3.010700       1.158100      3.5000001E-03
 C    3.859800      -1.159000      0.2753000    
 C    1.649200      0.5077000      2.7899999E-02
 C    1.516300     -0.8843000     -1.0600000E-02
 C   0.2406000      -1.476900     -8.2000000E-03
 C   0.4788000       1.286300      0.1020000    
 C  -0.8137000      0.7414000      0.1220000    
 C  -0.9110000     -0.6660000      6.6399999E-02
 C    4.138200      5.4099999E-02  -1.970700    
 C   -2.340000      -2.619300      0.3278000    
 C    4.931900      -2.203100     -2.2399999E-02
 C   -1.953400       1.687600      0.2027000    
 C   8.7600000E-02  -2.928900     -9.4999999E-02
 C   -1.122700      -3.462900      7.4500002E-02
 C   -3.378000       1.210400      0.2451000    
 C   -3.480000      -3.088800     -0.5844000    
 C   -2.771400      -2.741900       1.793700    
 C   -1.717600       3.007400      0.2461000    
 C  -0.3719000       3.588300      0.2198000    
 C   -3.965700       1.083200      -1.154800    
 C   -5.398800      0.5771000      -1.101200    
 H    5.082500      0.5714000     -0.1179000    
 H    3.015900       2.035100     -0.6545000    
 H    3.852800      -1.004300       1.363300    
 H    4.267100       1.039000      -2.433000    
 H    4.978900     -0.5654000      -2.298000    
 H    3.219400     -0.3848000      -2.371600    
 H    5.933200      -1.821500      0.1978000    
 H    4.761800      -3.098200      0.5865000    
 H    4.895000      -2.534600      -1.065100    
 H   0.9484000      -3.563900     -0.2662000    
 H   -1.231700      -4.544000      4.9899999E-02
 H    2.614400       2.267500       1.571500    
 H   -3.518100      0.3168000      0.8574000    
 H   -3.980500       1.958900      0.7826000    
 H   -3.719400      -4.147000     -0.4310000    
 H   -4.389600      -2.505600     -0.4052000    
 H   -3.221900      -2.942600      -1.640300    
 H   -3.662400      -2.134100       1.990100    
 H   -2.993600      -3.778700       2.068900    
 H   -1.990600      -2.368300       2.466800    
 H   -2.536200       3.719300      0.3033000    
 H   -3.949300       2.053200      -1.666600    
 H   -3.370900      0.3922000      -1.763500    
 H   -6.040400       1.277100     -0.5563000    
 H   -5.457700     -0.3961000     -0.6058000    
 H   -5.800100      0.4684000      -2.113700    


%chk=000122843-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122843

0 1
O 2.587194 -1.747395 -0.043728
O -2.214953 -1.280808 -0.042261
O 3.436829 1.664665 1.348215
O 0.691560 2.651714 0.331395
O -0.069205 4.812115 0.612565
C 4.084823 0.204523 -0.475526
C 2.997524 1.184860 0.016973
C 3.918183 -1.122439 0.298291
C 1.636109 0.509851 0.073249
C 1.490652 -0.893304 0.006458
C 0.204947 -1.509309 -0.031477
C 0.456924 1.280236 0.175017
C -0.872177 0.740841 0.152508
C -0.951411 -0.691376 0.045209
C 4.050403 0.037766 -2.010271
C -2.378702 -2.741802 0.359367
C 4.956149 -2.204012 0.018209
C -1.989425 1.680439 0.258407
C 0.046239 -2.949936 -0.235301
C -1.173116 -3.541379 -0.106695
C -3.448110 1.267692 0.162683
C -3.675858 -3.169053 -0.344025
C -2.512082 -2.778577 1.899373
C -1.723282 3.036564 0.408731
C -0.402072 3.619965 0.464926
C -3.905743 1.055742 -1.310357
C -5.397039 0.670290 -1.395242
H 5.054921 0.642383 -0.172374
H 2.934085 2.050507 -0.671276
H 3.877538 -0.881821 1.379926
H 4.141698 1.021706 -2.504574
H 4.885233 -0.590248 -2.366984
H 3.107615 -0.427099 -2.349649
H 5.964715 -1.827409 0.266109
H 4.758305 -3.096669 0.635921
H 4.944171 -2.508656 -1.041897
H 0.934281 -3.523648 -0.514239
H -1.320543 -4.610792 -0.293955
H 2.817261 2.390503 1.620323
H -3.627902 0.333106 0.718176
H -4.071624 2.063753 0.612878
H -3.923357 -4.211669 -0.075076
H -4.513892 -2.520633 -0.034672
H -3.564363 -3.103768 -1.439267
H -3.385579 -2.187538 2.228826
H -2.643086 -3.821372 2.241237
H -1.602920 -2.375757 2.378567
H -2.547226 3.750359 0.496044
H -3.722877 1.986431 -1.882670
H -3.288167 0.262189 -1.768686
H -6.039605 1.447057 -0.938852
H -5.590419 -0.281857 -0.865590
H -5.715824 0.542671 -2.445843


