%chk=000021781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021781

0 1
 O   -1.756900     -0.4425000     -0.3041000    
 O    1.755400     -0.4420000      0.3011000    
 O   6.0000003E-04   3.428800      1.9000000E-03
 N  -0.8047000       1.368000      0.7890000    
 N   0.8054000       1.368800     -0.7896000    
 C  -0.6219000     -1.9500000E-02  0.4396000    
 C   0.6226000     -1.8999999E-02 -0.4414000    
 C   3.0000001E-04   2.205600      9.9999997E-05
 C   -2.931300     -0.4517000      0.4958000    
 C    2.931900     -0.4510000     -0.4975000    
 C   -4.100400     -0.9315000     -0.3525000    
 C    4.099600     -0.9318000      0.3524000    
 C   -5.402800     -0.9509000      0.4423000    
 C    5.403300     -0.9512000     -0.4405000    
 C   -6.575500      -1.389500     -0.4201000    
 C    6.574400      -1.390600      0.4236000    
 H  -0.5006000     -0.6217000       1.347100    
 H   0.5007000     -0.6200000      -1.349600    
 H   -1.466600       1.713900       1.476400    
 H    1.467700       1.715300      -1.476200    
 H   -2.790200      -1.123300       1.350900    
 H   -3.160400      0.5523000      0.8677000    
 H    2.791600      -1.121900      -1.353100    
 H    3.161500      0.5534000     -0.8683000    
 H   -3.879700      -1.931900     -0.7454000    
 H   -4.201300     -0.2805000      -1.230100    
 H    3.877900      -1.932300      0.7444000    
 H    4.199300     -0.2813000       1.230600    
 H   -5.307900      -1.631800       1.296200    
 H   -5.609400      4.7499999E-02  0.8450000    
 H    5.309400      -1.631600      -1.294800    
 H    5.610800      4.7499999E-02 -0.8423000    
 H   -7.497600      -1.397700      0.1695000    
 H   -6.416000      -2.397800     -0.8155000    
 H   -6.718300     -0.7077000      -1.264500    
 H    7.497400      -1.398900     -0.1646000    
 H    6.413900      -2.399000      0.8182000    
 H    6.716200     -0.7093000       1.268600    


%chk=000021781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021781

0 1
O -1.732687 -0.117106 -0.266684
O 1.732680 -0.117171 0.267214
O 0.000182 3.971261 0.000133
N -0.751743 1.861784 0.826579
N 0.751843 1.861663 -0.826251
C -0.607926 0.454570 0.484066
C 0.607948 0.454508 -0.483631
C 0.000079 2.715336 0.000136
C -2.964843 -0.242758 0.533312
C 2.964777 -0.243169 -0.532805
C -3.984998 -1.022026 -0.301697
C 3.984862 -1.022411 0.302315
C -5.339516 -1.188168 0.426190
C 5.339317 -1.188896 -0.425610
C -6.366808 -1.976374 -0.414744
C 6.366556 -1.977045 0.415440
H -0.402409 -0.168367 1.376485
H 0.402444 -0.168518 -1.375990
H -1.323705 2.230244 1.581207
H 1.323930 2.230043 -1.580825
H -2.740757 -0.776936 1.485073
H -3.357540 0.767487 0.780650
H 2.740573 -0.777513 -1.484446
H 3.357621 0.766964 -0.780379
H -3.562410 -2.015156 -0.547997
H -4.136047 -0.491069 -1.261316
H 3.562143 -2.015430 0.548840
H 4.136035 -0.491279 1.261819
H -5.179687 -1.706089 1.394033
H -5.752540 -0.188116 0.670174
H 5.179363 -1.707015 -1.393326
H 5.752456 -0.188952 -0.669844
H -7.330201 -2.078270 0.117322
H -5.996142 -2.993388 -0.642345
H -6.563346 -1.467905 -1.377157
H 7.329891 -2.079221 -0.116677
H 5.995756 -2.993947 0.643325
H 6.563248 -1.468366 1.377710


