%chk=000085721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085721

0 1
 O  -0.6115000     -0.5595000     -0.9130000    
 O   0.3317000     -0.7784000       1.179400    
 O    2.826100      -2.078100       1.156900    
 N   -4.598800     -0.4397000     -0.2573000    
 C   -3.857200     -0.4154000       1.017700    
 C   -4.132800      0.7891000     -0.9276000    
 C   -3.927800       1.046100       1.474200    
 C   -4.110900       1.846200      0.1822000    
 C   -2.414400     -0.8453000      0.6874000    
 C   -2.718300      0.4830000      -1.458000    
 C   -1.746000      7.9800002E-02 -0.3405000    
 C   -6.047200     -0.4670000     -6.8999998E-02
 C   0.3653000     -0.9429000     -3.2400001E-02
 C    1.479900      -1.642300     -0.7895000    
 C    2.876200      -1.478100     -0.1449000    
 C    3.327000     -2.0300001E-02 -5.2200001E-02
 C    3.913300      -2.280200     -0.9492000    
 C    2.923900      0.8589000      -1.031800    
 C    4.118900      0.3599000       1.007800    
 C    3.334900       2.189200     -0.9473000    
 C    4.529900       1.690200       1.092400    
 C    4.137800       2.604800      0.1148000    
 H   -4.272900      -1.101500       1.764300    
 H   -4.772100       1.085100      -1.767000    
 H   -3.036400       1.361500       2.026300    
 H   -4.793500       1.205700       2.128000    
 H   -5.064100       2.386900      0.2199000    
 H   -3.317400       2.588100      4.5499999E-02
 H   -1.863900     -0.8617000       1.632700    
 H   -2.412600      -1.879600      0.3169000    
 H   -2.770700     -0.3179000      -2.208400    
 H   -2.315200       1.355200      -1.988000    
 H   -1.400900      0.9952000      0.1583000    
 H   -6.341400      -1.390700      0.4415000    
 H   -6.551400     -0.4721000      -1.041600    
 H   -6.436300      0.3774000      0.5090000    
 H    1.203300      -2.705700     -0.7845000    
 H    1.474700      -1.327100      -1.838300    
 H    4.900300      -2.238900     -0.4731000    
 H    3.636300      -3.339900     -0.9934000    
 H    4.013400      -1.905500      -1.973800    
 H    2.269600      -1.523200       1.729500    
 H    2.323000      0.5739000      -1.886500    
 H    4.447900     -0.3363000       1.772500    
 H    3.035000       2.900500      -1.711300    
 H    5.158000       2.013400       1.917400    
 H    4.459600       3.640100      0.1797000    


%chk=000085721-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085721

0 1
O -0.545262 -0.939384 -0.617528
O 0.471307 -1.062448 1.475541
O 3.161960 -1.849228 1.426739
N -4.610195 -0.078729 -0.553352
C -4.129615 -0.655336 0.745338
C -3.742570 1.138802 -0.672504
C -4.009569 0.574497 1.720992
C -3.745377 1.786933 0.762918
C -2.754898 -1.321364 0.474646
C -2.327930 0.660381 -1.093727
C -1.746324 -0.259005 -0.007865
C -6.062330 0.215893 -0.576163
C 0.484459 -1.291604 0.232916
C 1.625113 -1.973941 -0.499544
C 3.020534 -1.479336 0.007240
C 3.202749 0.043735 -0.185568
C 4.144712 -2.244641 -0.720474
C 2.755644 0.708623 -1.356654
C 3.889599 0.793619 0.801652
C 2.983135 2.092361 -1.532469
C 4.117982 2.176760 0.627448
C 3.665395 2.833153 -0.540368
H -4.842204 -1.415991 1.108341
H -4.146411 1.817094 -1.443773
H -3.200183 0.434336 2.459450
H -4.947526 0.713069 2.287002
H -4.547682 2.541044 0.846272
H -2.791747 2.298982 0.983462
H -2.373442 -1.817063 1.385905
H -2.889426 -2.082186 -0.315155
H -2.417098 0.099281 -2.040649
H -1.654886 1.521988 -1.259374
H -1.372516 0.323021 0.854001
H -6.623379 -0.729150 -0.466793
H -6.326420 0.652392 -1.555772
H -6.411752 0.917699 0.218871
H 1.571666 -3.058470 -0.284113
H 1.501196 -1.839110 -1.585320
H 5.119483 -1.942249 -0.302568
H 4.023501 -3.331506 -0.568204
H 4.142689 -2.022237 -1.802009
H 2.331290 -1.537127 1.891519
H 2.225634 0.155964 -2.141123
H 4.233801 0.275234 1.702268
H 2.628540 2.590239 -2.442428
H 4.648660 2.741660 1.402600
H 3.841991 3.906246 -0.675921


