%chk=000060079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060079

0 1
 O    2.608200     -0.6483000       1.021800    
 O   -1.736200      -2.338000     -4.5499999E-02
 O    5.213200     -0.9096000       1.352100    
 N   -4.378700      0.2237000      0.1173000    
 C   -3.732500      -1.028300     -0.2472000    
 C   -5.491500      0.5159000     -0.7895000    
 C   -4.854300      0.1775000       1.502100    
 C    3.398900      0.2615000      0.2686000    
 C   -2.323700      -1.090400      0.3208000    
 C    3.048400       1.689200      0.6913000    
 C    1.772300       2.175800      4.6700001E-02
 C   -6.572100     -0.5477000     -0.6931000    
 C   -5.469300       1.503700       1.915900    
 C    4.865400     -4.5299999E-02  0.5469000    
 C    1.808600      -1.506300      0.3126000    
 C  -0.3873000      -2.358400     -0.2255000    
 C   0.4261000      -1.485300      0.4971000    
 C    1.818500       2.832200      -1.183400    
 C   0.5472000       1.968700      0.6809000    
 C    2.377600      -2.400400     -0.5944000    
 C   0.1818000      -3.252500      -1.132300    
 C    5.891400      0.7615000     -0.2077000    
 C    1.564100      -3.273400      -1.316800    
 C   0.6400000       3.281700      -1.779000    
 C  -0.6314000       2.418100      8.5100003E-02
 C  -0.5848000       3.074500      -1.144900    
 H   -4.292900      -1.913600      8.0799997E-02
 H   -3.641000      -1.121400      -1.338200    
 H   -5.116400      0.5538000      -1.820700    
 H   -5.911800       1.512500     -0.6184000    
 H   -5.541400     -0.6498000       1.712100    
 H   -4.000200      2.6000001E-02   2.171900    
 H    3.247700      0.1358000     -0.8126000    
 H   -2.318100      -1.027100       1.413200    
 H   -1.759700     -0.2486000     -9.7499996E-02
 H    3.846600       2.395000      0.4336000    
 H    2.943700       1.748300       1.783000    
 H   -6.214000      -1.558300     -0.9080000    
 H   -7.094200     -0.5503000      0.2677000    
 H   -7.338300     -0.3332000      -1.448100    
 H   -4.826000       2.349300       1.648800    
 H   -6.460900       1.661900       1.481700    
 H   -5.596900       1.524500       3.004200    
 H   1.7200001E-02 -0.8167000       1.247400    
 H    2.766700       2.997100      -1.688400    
 H   0.4990000       1.476500       1.648100    
 H    3.453400      -2.435600     -0.7425000    
 H  -0.4468000      -3.935100      -1.697700    
 H    6.056700       1.717100      0.2943000    
 H    5.556100      0.9271000      -1.234800    
 H    6.833400      0.2067000     -0.2435000    
 H    2.007300      -3.971000      -2.021400    
 H   0.6760000       3.792200      -2.736900    
 H   -1.584700       2.263200      0.5820000    
 H   -1.502500       3.425100      -1.607900    


%chk=000060079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060079

0 1
O 1.758179 0.500279 0.188564
O -2.203146 -2.197645 -0.576209
O 3.415754 -0.575500 2.219455
N -5.351547 -0.709567 0.770814
C -4.478940 -1.653038 0.031564
C -6.639025 -0.407754 0.098254
C -5.442033 -1.019860 2.220656
C 3.204316 0.708111 0.136163
C -3.024473 -1.161509 0.077978
C 3.433927 2.208282 0.482036
C 3.074770 3.155756 -0.653530
C -7.671547 -1.567595 0.038229
C -5.993662 0.146654 3.061024
C 3.961112 -0.172731 1.164740
C 1.228374 -0.704357 -0.320011
C -0.822377 -1.977506 -0.668132
C -0.174722 -0.822585 -0.177652
C 4.093531 3.831433 -1.373293
C 1.721118 3.378057 -1.019806
C 1.988392 -1.719840 -0.943078
C -0.078843 -3.009322 -1.300424
C 5.414113 -0.482901 0.820982
C 1.313162 -2.867752 -1.427576
C 3.772890 4.705689 -2.437262
C 1.398353 4.250624 -2.082138
C 2.422126 4.917521 -2.795591
H -4.522577 -2.691888 0.431302
H -4.798742 -1.705129 -1.024962
H -6.402910 -0.077329 -0.931325
H -7.097531 0.463258 0.602018
H -6.050481 -1.938927 2.414582
H -4.418061 -1.250945 2.570833
H 3.590225 0.501734 -0.884041
H -2.685822 -1.020090 1.124423
H -2.929333 -0.198367 -0.460238
H 4.495944 2.348296 0.758017
H 2.830041 2.410998 1.386010
H -7.254279 -2.450071 -0.481197
H -7.989320 -1.883992 1.048456
H -8.574927 -1.245659 -0.512827
H -5.409766 1.064430 2.870114
H -7.054177 0.358359 2.834432
H -5.926942 -0.095958 4.137474
H -0.713083 -0.012649 0.320291
H 5.144454 3.678850 -1.095088
H 0.929516 2.856007 -0.472676
H 3.072992 -1.643610 -1.056717
H -0.606211 -3.892875 -1.670169
H 5.975879 -0.734217 1.734346
H 5.905095 0.352443 0.290411
H 5.445185 -1.361465 0.146200
H 1.891769 -3.662429 -1.911388
H 4.572619 5.221941 -2.980504
H 0.348760 4.411760 -2.353214
H 2.169783 5.596082 -3.618223


