%chk=000157314.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157314

0 1
 O   -1.777000      -1.349400      0.4728000    
 O    2.533300       1.408400      0.4003000    
 O   -1.409400       2.881900      0.6728000    
 O   -3.054800      -2.731600     -0.8664000    
 N  -0.8544000      0.7177000     -0.1362000    
 N   -3.016600       1.425900     -0.2573000    
 N    1.200700       1.802000      0.4168000    
 C   -1.644000     -0.4195000     -0.5952000    
 C    3.962400     -0.4560000     -0.1110000    
 C   -3.002400      0.1614000     -0.9530000    
 C    2.616000      0.1242000     -3.1700000E-02
 C   0.5137000      0.7341000     -9.3000000E-03
 C   -1.725100       1.814200      0.1617000    
 C    1.361100     -0.3519000     -0.3056000    
 C    4.324100     -0.9079000      -1.569000    
 C    4.113400      -1.721700      0.8036000    
 C    5.150500      0.4849000      0.3174000    
 C   -4.212600       2.203800     -1.7600000E-02
 C   -2.512700      -2.468600      0.1985000    
 C   -2.566300      -3.351900       1.408200    
 H   -1.167500     -0.8979000      -1.459300    
 H   -3.072400      0.3862000      -2.022400    
 H   -3.870900     -0.4212000     -0.6383000    
 H    1.109000      -1.339500     -0.6637000    
 H    5.325500      -1.350000      -1.619000    
 H    3.610000      -1.654800      -1.934600    
 H    4.291700     -5.5300001E-02  -2.257200    
 H    3.391900      -2.496700      0.5197000    
 H    5.116800      -2.156100      0.7312000    
 H    3.926700      -1.465000       1.852800    
 H    6.119900     -1.8600000E-02  0.2309000    
 H    5.177400       1.382900     -0.3105000    
 H    5.029000      0.8111000       1.356900    
 H   -4.907800       1.603900      0.5756000    
 H   -4.667700       2.450800     -0.9802000    
 H   -3.973200       3.123700      0.5214000    
 H   -3.045900      -2.820000       2.233700    
 H   -1.555700      -3.662300       1.685000    
 H   -3.155100      -4.244900       1.179700    


%chk=000157314-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157314

0 1
O -1.990238 -1.127904 0.860033
O 2.470138 1.375540 -0.036373
O -1.528554 3.120242 0.117027
O -0.848566 -2.992391 0.023177
N -1.060315 0.787929 -0.314387
N -3.194074 1.527069 -0.436352
N 1.081518 1.880527 -0.005095
C -1.854498 -0.408058 -0.473211
C 3.808418 -0.696015 -0.330618
C -3.256175 0.122507 -0.845556
C 2.461027 -0.004507 -0.275358
C 0.343470 0.756180 -0.232220
C -1.894891 1.960351 -0.170526
C 1.151660 -0.430341 -0.402223
C 4.672164 -0.042931 -1.450844
C 3.602319 -2.201935 -0.631664
C 4.523582 -0.523281 1.043342
C -4.336894 2.430404 -0.451230
C -1.426099 -2.409517 0.970554
C -1.606396 -2.941668 2.372481
H -1.427371 -1.132318 -1.184553
H -3.443376 0.019929 -1.934254
H -4.032184 -0.437946 -0.295901
H 0.808366 -1.445502 -0.584259
H 5.666648 -0.524526 -1.483677
H 4.195499 -0.163232 -2.440563
H 4.810312 1.035730 -1.263626
H 3.109548 -2.354682 -1.609016
H 4.583125 -2.709780 -0.660878
H 2.988862 -2.690658 0.147020
H 5.516814 -1.007418 1.009787
H 4.660928 0.544810 1.284199
H 3.937872 -0.988869 1.856761
H -5.123436 2.093455 0.250068
H -4.775771 2.514037 -1.465211
H -3.982019 3.426094 -0.137908
H -2.633565 -2.762097 2.729292
H -0.923176 -2.407019 3.057003
H -1.373075 -4.015911 2.396258


