%chk=000127583.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127583

0 1
 O   -2.273200      0.1140000      0.8793000    
 O    4.961200     -0.2028000     -4.4799998E-02
 O   -3.946000      -2.198300      0.5589000    
 O   -3.818300       2.378000      2.1900000E-02
 O    2.730700      5.3500000E-02   1.415000    
 O   -1.524300     -0.2396000      -1.276800    
 O    7.403500       1.052800      0.5010000    
 N   -3.573100      8.5699998E-02  0.3283000    
 C   -5.582200     -0.7189000     -0.4376000    
 C   -5.539700      0.8003000     -0.6160000    
 C   -4.274900      -1.072500      0.2184000    
 C   -4.210800       1.223800     -5.1100001E-02
 C    1.185400     -0.2024000     -0.4277000    
 C   4.5499999E-02 -2.4900001E-02  0.5716000    
 C    2.565300     -0.1221000      0.2090000    
 C   -1.319200     -6.5800004E-02 -8.2999997E-02
 C    3.735800     -0.2804000     -0.7417000    
 C    6.078300     -0.3489000     -0.9168000    
 C    7.355900     -0.2317000     -0.1081000    
 H   -6.413600      -1.019700      0.2064000    
 H   -5.663300      -1.230000      -1.401300    
 H   -6.349200       1.287400     -6.4599998E-02
 H   -5.598800       1.078200      -1.672400    
 H    1.126400      0.5744000      -1.198900    
 H    1.097000      -1.176800     -0.9216000    
 H   0.1500000      0.9405000       1.080400    
 H   8.9000002E-02 -0.8206000       1.324300    
 H    3.679300      0.5207000      -1.486500    
 H    3.647900      -1.256400      -1.230800    
 H    6.037000      -1.325200      -1.411900    
 H    6.044000      0.4446000      -1.672400    
 H    8.234000     -0.3525000     -0.7490000    
 H    7.378000     -0.9812000      0.6893000    
 H    8.230800       1.096000       1.010200    


%chk=000127583-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127583

0 1
O -2.249639 -0.253500 0.839324
O 5.062229 -0.205107 -0.009138
O -3.728845 -2.223564 -0.684882
O -3.828877 2.175848 1.005360
O 2.784800 0.763689 1.156452
O -1.460537 0.540732 -1.244120
O 7.332248 1.441457 -0.211891
N -3.558387 -0.075949 0.308296
C -5.586828 -0.533455 -0.786047
C -5.619774 0.916446 -0.228975
C -4.212596 -1.105695 -0.422033
C -4.264297 1.152227 0.445569
C 1.258076 -0.287450 -0.438017
C 0.125705 -0.046963 0.577625
C 2.636706 0.012966 0.164412
C -1.206089 0.133766 -0.105420
C 3.807100 -0.655825 -0.561896
C 6.240923 -0.704635 -0.743679
C 7.437165 -0.012151 -0.087986
H -6.367204 -1.180185 -0.350150
H -5.703033 -0.574522 -1.882122
H -6.418538 1.073890 0.515617
H -5.753843 1.675911 -1.017520
H 1.116766 0.387490 -1.307792
H 1.227301 -1.316131 -0.843815
H 0.351766 0.874025 1.152829
H 0.053919 -0.859286 1.319901
H 3.726140 -0.424483 -1.650805
H 3.690239 -1.761244 -0.458880
H 6.315908 -1.810828 -0.659959
H 6.165081 -0.419375 -1.814920
H 8.371992 -0.295479 -0.599940
H 7.499610 -0.320540 0.976578
H 6.443211 1.697117 0.149024


