%chk=000094801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094801

0 1
 O    6.211900      0.9878000     -0.2824000    
 O    2.260700      -1.979100     -7.1900003E-02
 N    3.708600     -0.1924000      0.2469000    
 C   -2.570700     -0.5122000      7.9800002E-02
 C   -1.272900      0.2911000      0.1976000    
 C   -3.796500      0.3973000      0.1857000    
 C  -4.5800000E-02 -0.6227000      0.1241000    
 C    1.264400      0.1451000      0.2689000    
 C   -5.123400     -0.3411000     -1.5500000E-02
 C    3.968400       1.203400      0.6154000    
 C    4.912000      -1.014700      0.1229000    
 C    2.449300     -0.7773000      0.1330000    
 C   -6.382100      0.5317000     -5.5999998E-03
 C    5.034500       1.799300     -0.2953000    
 C    5.934400     -0.3273000     -0.7707000    
 C   -7.668000     -0.2508000     -0.2728000    
 C   -8.884900      0.6617000     -0.2599000    
 H   -2.612200      -1.272500      0.8688000    
 H   -2.586900      -1.040900     -0.8809000    
 H   -1.264200      0.8379000       1.148300    
 H   -1.224300       1.036300     -0.6056000    
 H   -3.720200       1.193000     -0.5659000    
 H   -3.804600      0.8887000       1.166300    
 H  -0.1140000      -1.384700      0.9113000    
 H  -5.9300002E-02  -1.158100     -0.8340000    
 H    1.325500      0.9142000     -0.5091000    
 H    1.295300      0.6258000       1.252800    
 H   -5.220000      -1.109400      0.7621000    
 H   -5.081300     -0.8759000     -0.9732000    
 H    3.067400       1.817600      0.5823000    
 H    4.326100       1.185500       1.651600    
 H    5.313500      -1.133000       1.136200    
 H    4.672300      -2.009100     -0.2656000    
 H   -6.456300       1.036900      0.9652000    
 H   -6.274400       1.318000     -0.7632000    
 H    4.671900       1.892900      -1.325900    
 H    5.311500       2.798600      5.4400001E-02
 H    5.580600     -0.2612000      -1.806500    
 H    6.872500     -0.8908000     -0.7719000    
 H   -7.602600     -0.7518000      -1.245500    
 H   -7.792000      -1.030800      0.4871000    
 H   -8.804300       1.434300      -1.031200    
 H   -9.793900      8.3400004E-02 -0.4522000    
 H   -8.995100       1.155100      0.7111000    


%chk=000094801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094801

0 1
O 6.279973 1.054297 -0.348039
O 2.436107 -2.012687 -0.209185
N 3.776557 -0.196480 0.331510
C -2.597507 -0.521952 0.009890
C -1.266606 0.245035 0.178870
C -3.841425 0.393082 0.067600
C -0.026629 -0.671174 0.087224
C 1.289554 0.108682 0.276331
C -5.174190 -0.373504 -0.088658
C 4.028362 1.211413 0.699032
C 5.008345 -1.009099 0.210276
C 2.529605 -0.785971 0.113666
C -6.416796 0.544564 -0.049880
C 5.037838 1.837932 -0.289558
C 5.986365 -0.332386 -0.766186
C -7.750409 -0.222383 -0.201980
C -8.985755 0.703555 -0.170314
H -2.675329 -1.298528 0.799111
H -2.586074 -1.064759 -0.958209
H -1.272434 0.771709 1.157037
H -1.201313 1.035366 -0.599218
H -3.766563 1.162743 -0.729321
H -3.847407 0.944495 1.031469
H -0.088724 -1.472343 0.847757
H -0.005440 -1.186786 -0.890797
H 1.336095 0.938155 -0.460187
H 1.300561 0.584790 1.278447
H -5.255666 -1.134749 0.715441
H -5.163631 -0.934858 -1.046521
H 3.091377 1.789564 0.692195
H 4.455299 1.252912 1.722556
H 5.485177 -1.101373 1.207097
H 4.713734 -2.012443 -0.140559
H -6.427455 1.109345 0.906122
H -6.338020 1.303137 -0.856945
H 4.580591 1.899317 -1.301802
H 5.339990 2.845726 0.040761
H 5.557173 -0.330218 -1.791170
H 6.961448 -0.845860 -0.774398
H -7.736431 -0.790440 -1.154705
H -7.830862 -0.976755 0.607359
H -8.944402 1.446507 -0.989274
H -9.925535 0.131458 -0.280112
H -9.038647 1.260764 0.784265


