%chk=000173305.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173305

0 1
 O  -0.1767000     -0.9071000       1.874400    
 O   -1.494300      -3.925700     -0.8128000    
 O   -3.572300      -3.799300      6.8400003E-02
 O   -2.512800       4.601300      0.2765000    
 N  -0.8693000      -1.442300     -0.2763000    
 C   -2.229800      -1.787100      6.3000001E-02
 C   -3.229600     -0.9091000     -0.7007000    
 C   -3.037800      0.5656000     -0.4398000    
 C    1.403100     -0.7265000      4.8900001E-02
 C    2.432200     -0.2664000       1.079600    
 C   5.2200001E-02  -1.026200      0.6736000    
 C    3.761000      4.3800000E-02  0.4404000    
 C   -2.509700      -3.256500     -0.2161000    
 C   -3.718700       1.163300      0.6085000    
 C   -2.184100       1.293900      -1.252700    
 C    4.709400     -0.9612000      0.3164000    
 C    4.016100       1.329400     -1.4200000E-02
 C   -3.541200       2.525600      0.8504000    
 C   -2.006500       2.656100      -1.010800    
 C   -2.685200       3.272000      4.0600002E-02
 C    5.939500     -0.6743000     -0.2752000    
 C    5.246300       1.616200     -0.6059000    
 C    6.208100      0.6144000     -0.7364000    
 H   -2.365800      -1.651100       1.142900    
 H   -3.148300      -1.097600      -1.780500    
 H   -4.258200      -1.193300     -0.4409000    
 H  -0.5747000      -1.549100      -1.242900    
 H    1.753900      -1.633200     -0.4597000    
 H    1.259800      4.6500001E-02 -0.7167000    
 H    2.564300      -1.035100       1.852500    
 H    2.064400      0.6203000       1.612900    
 H   -4.385400      0.5894000       1.245800    
 H   -1.652400      0.8257000      -2.076000    
 H    4.509100      -1.968500      0.6707000    
 H    3.272900       2.116000      8.1000000E-02
 H   -4.075300       2.993300       1.673300    
 H   -1.338400       3.232200      -1.645200    
 H    6.688200      -1.454500     -0.3773000    
 H    5.455200       2.619500     -0.9656000    
 H    7.165800      0.8377000      -1.197300    
 H   -1.720600      -4.866200     -0.9759000    
 H   -3.057300       4.859100       1.040100    


%chk=000173305-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173305

0 1
O -0.330756 -0.430881 1.760315
O -1.719232 -3.937123 -0.891637
O -3.495973 -3.871578 0.606384
O -2.583977 4.706317 -0.223139
N -0.858582 -1.486931 -0.245252
C -2.227707 -1.801302 0.156907
C -3.313214 -0.997728 -0.653442
C -3.138398 0.505357 -0.526789
C 1.391502 -0.504968 0.005099
C 2.515425 -0.640040 1.068997
C 0.010472 -0.801500 0.595221
C 3.856770 -0.152391 0.542991
C -2.555276 -3.286422 0.032171
C -3.440319 1.171317 0.687450
C -2.655564 1.280124 -1.612434
C 4.817856 -1.061516 0.031212
C 4.163162 1.233955 0.524074
C -3.268779 2.564076 0.819232
C -2.477268 2.674314 -1.500567
C -2.783439 3.314929 -0.279224
C 6.050466 -0.601899 -0.487351
C 5.392908 1.698793 0.007468
C 6.341925 0.781425 -0.502306
H -2.308909 -1.523391 1.223676
H -3.256162 -1.302472 -1.715898
H -4.301219 -1.317335 -0.271098
H -0.523466 -1.845691 -1.140504
H 1.604904 -1.150384 -0.868564
H 1.375987 0.539133 -0.365727
H 2.586886 -1.697665 1.384890
H 2.199975 -0.061024 1.955781
H -3.809204 0.598478 1.546592
H -2.418561 0.787925 -2.563483
H 4.601151 -2.137354 0.046161
H 3.435714 1.950413 0.926881
H -3.504701 3.059222 1.770188
H -2.107768 3.274861 -2.336922
H 6.782619 -1.320475 -0.873568
H 5.614180 2.772337 0.006847
H 7.297708 1.140258 -0.900577
H -1.995862 -4.889703 -0.973194
H -2.808178 5.057539 0.674139


