%chk=000122202.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122202

0 1
 O   0.7303000      0.3588000      0.5561000    
 O  -0.2822000       2.406100       1.015400    
 O    3.687100       2.296700      -1.586500    
 O    2.612600      -2.606300     -0.3002000    
 O    1.402100      -2.473100       2.294200    
 O    1.648100       3.141700       2.658300    
 O    1.920900      0.9041000       2.996700    
 O  -0.5023000      -4.430300       1.931100    
 O    4.339200     -0.1435000      -3.191200    
 O   -3.525800      0.7959000      -2.091000    
 O   -5.072200      3.1800002E-02  -3.592200    
 N    4.024700     -0.5321000     -0.9177000    
 C    2.787700      0.1997000     -0.7617000    
 C    1.915000     -0.4175000      0.3427000    
 C    3.083400       1.671500     -0.4563000    
 C    1.796300       2.422800     -0.1343000    
 C   0.9594000       1.707500      0.9223000    
 C    1.453200      -1.827800     -1.7200001E-02
 C   0.6219000      -2.482000       1.093200    
 C    1.560700       1.838400       2.296300    
 C   0.2356000      -3.933300      0.8176000    
 C    4.693500     -0.6390000      -2.124700    
 C   -1.411400       1.678100      0.7655000    
 C    5.966000      -1.433500      -2.001900    
 C   -1.909800       1.595300     -0.5271000    
 C   -2.057500       1.022100       1.808000    
 C   -3.064500      0.8461000     -0.7602000    
 C   -3.737400      0.1758000      0.2624000    
 C   -3.214300      0.2748000       1.558600    
 C   -4.945400     -0.5897000     -7.3899999E-02
 C   -5.361200     -0.6196000      -1.348000    
 C   -4.662100      8.1900001E-02  -2.437800    
 C   -5.691700      -1.321300       1.003200    
 H    2.249200      0.1560000      -1.718600    
 H    2.515500     -0.4748000       1.256300    
 H    3.787900       1.750300      0.3809000    
 H    1.208200       2.519100      -1.058500    
 H    2.023000       3.458200      0.1505000    
 H   0.8338000      -1.802600     -0.9233000    
 H  -0.2813000      -1.899000       1.303400    
 H    4.452100     -0.9272000     -8.4600002E-02
 H    3.872100       3.220800      -1.346900    
 H  -0.3857000      -4.008800     -7.9800002E-02
 H    1.119700      -4.568400      0.7027000    
 H    2.883500      -2.410600      -1.212600    
 H    2.220400      -2.969100       2.120000    
 H    5.788000      -2.353100      -1.436900    
 H    6.722300     -0.8320000      -1.490400    
 H    6.330200      -1.700900      -2.997700    
 H    2.037600       3.248200       3.552400    
 H   -1.410600       2.105400      -1.345800    
 H   -1.669500       1.084400       2.821200    
 H  -0.7394000      -5.350900       1.726700    
 H   -3.689500     -0.2235000       2.399500    
 H   -6.249800      -1.175200      -1.632300    
 H   -6.050200     -0.6257000       1.769400    
 H   -5.052000      -2.073300       1.477500    
 H   -6.568700      -1.846500      0.6083000    


%chk=000122202-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122202

0 1
O 0.968932 -0.150005 -0.294029
O -0.495388 1.598093 -0.822923
O 4.282792 2.310421 -1.175728
O 3.360946 -2.958935 -0.450275
O 1.877842 -3.502033 1.581100
O 0.275730 2.985752 1.517871
O 0.962259 0.919266 2.331329
O -0.289050 -4.940401 0.617518
O 5.327294 -1.788911 -1.729034
O -5.212457 2.115374 -1.009248
O -7.483752 2.474270 -1.202898
N 4.803692 -0.194738 -0.128780
C 3.451320 0.116143 -0.634909
C 2.313894 -0.716979 0.045865
C 3.223982 1.632198 -0.416470
C 1.828018 2.074574 -0.877587
C 0.741080 1.273168 -0.142588
C 2.139444 -2.173183 -0.478609
C 1.149999 -2.963398 0.415425
C 0.667091 1.658467 1.372671
C 0.481734 -4.133496 -0.331306
C 5.698858 -1.008384 -0.783162
C -1.741290 1.135685 -0.327800
C 7.144877 -0.946338 -0.328250
C -2.855889 1.810905 -0.856526
C -1.894221 0.062140 0.590474
C -4.142763 1.407193 -0.456936
C -4.346199 0.335476 0.467645
C -3.189418 -0.317430 0.975960
C -5.715256 -0.029443 0.823006
C -6.764085 0.678583 0.266066
C -6.594730 1.785520 -0.668159
C -5.972298 -1.167634 1.784809
H 3.448219 -0.083513 -1.723966
H 2.441651 -0.713133 1.145718
H 3.343488 1.860893 0.669888
H 1.705401 1.871559 -1.956276
H 1.671892 3.153314 -0.699286
H 1.732582 -2.093901 -1.509310
H 0.374740 -2.298630 0.828664
H 5.170253 0.418498 0.602291
H 4.124632 3.288518 -1.159182
H -0.241771 -3.762972 -1.078433
H 1.257418 -4.743929 -0.841461
H 4.039879 -2.634718 -1.131306
H 2.785263 -3.729349 1.223981
H 7.303447 -0.292957 0.546242
H 7.762812 -0.574421 -1.164223
H 7.496037 -1.963937 -0.089202
H 0.200978 3.216538 2.484128
H -2.729755 2.636870 -1.559676
H -1.026056 -0.486844 0.958469
H 0.291610 -5.024836 1.422777
H -3.304701 -1.152896 1.673136
H -7.802335 0.434830 0.507529
H -5.499612 -0.975576 2.766370
H -5.550471 -2.115924 1.402141
H -7.051890 -1.314504 1.947564


