%chk=000114053.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114053

0 1
 O    5.789100      0.6333000     -9.9100001E-02
 O   -4.916500     -0.3336000      0.7349000    
 N   -1.364400      0.2782000      -1.564500    
 C    1.220800      -1.237900     -0.6970000    
 C  -7.3399998E-02  -1.028300      9.1899998E-02
 C  -0.4767000      0.3816000     -0.4092000    
 C   0.7790000      -1.113100      -2.235500    
 C    1.753400      -2.659700     -0.3964000    
 C   5.2400000E-02  -1.287300       1.604700    
 C    2.192400     -7.7799998E-02 -0.2322000    
 C   0.1582000       1.445200      0.4756000    
 C  -0.7846000     -0.7939000      -2.461400    
 C    1.890000      -2.950300       1.102400    
 C   0.5838000      -2.699200       1.854100    
 C    1.688200       1.141900      0.3844000    
 C   -2.750100      2.9100001E-02  -1.204600    
 C    3.576900     -0.2073000     -0.4016000    
 C    2.579700       2.114100      0.8501000    
 C   -3.275900       1.112500     -0.2608000    
 C    4.444400      0.7855000      6.2600002E-02
 C    3.951500       1.929300      0.6930000    
 C   -4.707500      0.8487000      0.1361000    
 C   -5.830000       1.584200      1.2000001E-03
 C    6.623100       1.677500      0.3981000    
 C   -6.855100      0.7918000      0.5705000    
 C   -6.248500     -0.3647000       1.002400    
 H  -0.8144000      -1.777700     -0.2197000    
 H   0.2222000      0.7428000      -1.177900    
 H    1.004000      -2.044200      -2.769800    
 H    1.368200     -0.3288000      -2.729000    
 H    2.710900      -2.842900     -0.8953000    
 H    1.055500      -3.397700     -0.8160000    
 H  -0.9312000      -1.176300       2.076400    
 H   0.7204000     -0.5851000       2.110900    
 H  -0.1967000       1.410000       1.509600    
 H  -4.1900001E-02   2.449700      8.1400000E-02
 H  -0.9290000     -0.4848000      -3.502900    
 H   -1.331100      -1.738000      -2.335300    
 H    2.685800      -2.333200       1.535200    
 H    2.193000      -3.994400       1.242200    
 H  -0.1663000      -3.433600       1.535400    
 H   0.7398000      -2.850900       2.928100    
 H   -3.362600      2.1800000E-02  -2.115400    
 H   -2.869800     -0.9585000     -0.7416000    
 H    3.999300      -1.080600     -0.8897000    
 H    2.209500       3.023800       1.315000    
 H   -3.206300       2.097500     -0.7389000    
 H   -2.692700       1.157300      0.6662000    
 H    4.581000       2.727000       1.073100    
 H   -5.926300       2.563800     -0.4442000    
 H    6.538600       1.778500       1.485500    
 H    6.440600       2.623000     -0.1238000    
 H    7.658600       1.391900      0.1853000    
 H   -7.904800       1.033100      0.6554000    
 H   -6.606000      -1.258300       1.492900    


%chk=000114053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114053

0 1
O 5.836572 0.560521 -0.068286
O -4.973660 -0.068796 1.099738
N -1.410893 0.327128 -1.561835
C 1.256595 -1.220834 -0.738546
C -0.044533 -1.012711 0.063724
C -0.359444 0.414108 -0.511610
C 0.756180 -1.057564 -2.273209
C 1.863450 -2.623358 -0.476492
C 0.087706 -1.295389 1.575354
C 2.183744 -0.038444 -0.222525
C 0.121557 1.468368 0.494005
C -0.802243 -0.764985 -2.477906
C 1.993275 -2.926360 1.038122
C 0.644211 -2.730471 1.776752
C 1.656991 1.145607 0.455887
C -2.791047 -0.008180 -1.145557
C 3.581621 -0.153742 -0.355164
C 2.567994 2.088039 0.971454
C -3.428375 1.182967 -0.384536
C 4.472224 0.821451 0.158815
C 3.970477 1.948611 0.845173
C -4.823118 0.910318 0.083925
C -6.075490 1.399755 -0.254237
C 6.798633 1.540877 0.436377
C -7.053187 0.714086 0.570090
C -6.352234 -0.164909 1.374802
H -0.807262 -1.729853 -0.299575
H 0.439402 0.630576 -1.232093
H 0.958749 -2.004695 -2.813138
H 1.353113 -0.279069 -2.784721
H 2.838207 -2.754938 -0.985401
H 1.176186 -3.368895 -0.929053
H -0.899792 -1.196955 2.068096
H 0.770449 -0.579960 2.068738
H -0.298919 1.382300 1.513222
H -0.039970 2.504203 0.138696
H -0.964245 -0.468313 -3.532239
H -1.350563 -1.720362 -2.320950
H 2.755646 -2.259022 1.485402
H 2.353630 -3.964104 1.179044
H -0.091264 -3.468679 1.393067
H 0.772072 -2.938947 2.856787
H -3.387922 -0.215888 -2.054064
H -2.843143 -0.922599 -0.503014
H 4.026248 -1.019103 -0.856572
H 2.170745 2.978592 1.474397
H -3.439084 2.063152 -1.050962
H -2.784064 1.437839 0.479353
H 4.633829 2.712911 1.260160
H -6.276650 2.162577 -1.004185
H 6.739804 1.634661 1.538715
H 6.642349 2.535073 -0.026797
H 7.786294 1.149921 0.150447
H -8.131722 0.859770 0.562627
H -6.630626 -0.881287 2.142497


