%chk=000149166.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149166

0 1
 O   -3.747600     -0.7142000      0.4240000    
 O   -2.072800      0.8598000      5.0099999E-02
 O   -6.214700       1.029000      -2.365800    
 O   -7.316900     -0.8033000     -0.4408000    
 O   -4.508700      -2.692900       2.164400    
 O    2.571600      -2.284600     -0.6129000    
 O    4.783000       2.380200      0.7705000    
 N   -3.968600       2.568000      -1.290300    
 C   -5.667700      0.8161000      -1.063200    
 C   -4.167500       1.128300      -1.098700    
 C   -5.917500     -0.6387000     -0.6547000    
 C   -5.137800     -0.9837000      0.6179000    
 C   -3.479600      0.6694000      0.1925000    
 C   -5.263800      -2.457800      0.9897000    
 C   -1.370700      0.4523000       1.217800    
 C   9.1499999E-02  0.6712000       1.018100    
 C   0.8795000     -0.3422000      0.4718000    
 C    2.251700     -0.1371000      0.2839000    
 C    2.829300       1.082200      0.6442000    
 C   0.6678000       1.888000       1.377100    
 C    2.034700       2.096500       1.191800    
 C    3.078200      -1.215600     -0.2954000    
 C    4.524800     -0.9861000     -0.4875000    
 C    5.102500      0.2330000     -0.1268000    
 C    4.275900       1.311700      0.4524000    
 C    5.319300      -2.000200      -1.035500    
 C    6.474700      0.4379000     -0.3142000    
 C    6.686400      -1.791900      -1.220200    
 C    7.262900     -0.5755000     -0.8602000    
 H   -6.191800       1.494700     -0.3774000    
 H   -3.710200      0.6202000      -1.957500    
 H   -5.629600      -1.303600      -1.478100    
 H   -5.492600     -0.3879000       1.469800    
 H   -3.831800       1.255500       1.053000    
 H   -4.866300      -3.105500      0.2013000    
 H   -6.303200      -2.736600       1.184800    
 H   -4.372900       3.079800     -0.5066000    
 H   -4.477700       2.874100      -2.118800    
 H   -7.159500      0.8022000      -2.324200    
 H   -7.573700     -0.2441000      0.3122000    
 H   -1.552900     -0.6075000       1.433700    
 H   -1.723600       1.025900       2.084300    
 H   -3.589100      -2.436400       1.979300    
 H   0.4172000      -1.286200      0.1932000    
 H   6.1999999E-02   2.684600       1.801200    
 H    2.460100       3.054200       1.479600    
 H    4.893900      -2.957600      -1.324300    
 H    6.948200       1.377300     -4.1800000E-02
 H    7.302200      -2.579200      -1.645300    
 H    8.327500     -0.4159000      -1.005000    


%chk=000149166-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149166

0 1
O -3.979450 -1.131430 -0.239260
O -2.646128 -0.381612 -2.035168
O -5.986204 2.573251 -0.217588
O -6.303766 0.784500 2.068877
O -4.242310 -3.112196 1.779211
O 3.092597 -2.796019 0.048402
O 3.510810 2.710210 -0.082273
N -3.566319 2.309418 -1.731378
C -4.990968 1.556523 0.127877
C -4.275601 1.148936 -1.169570
C -5.654687 0.346952 0.813326
C -4.633601 -0.788712 1.048533
C -3.269446 0.036223 -0.817881
C -5.265490 -2.095254 1.539423
C -1.472289 -1.252818 -1.866680
C -0.227796 -0.530714 -1.358905
C 0.862790 -1.296161 -0.888506
C 2.059654 -0.674524 -0.464716
C 2.168692 0.747330 -0.498384
C -0.116654 0.886162 -1.384449
C 1.069555 1.513152 -0.956676
C 3.191025 -1.527785 0.016427
C 4.440797 -0.833782 0.456177
C 4.548767 0.588283 0.421148
C 3.415262 1.441476 -0.055569
C 5.534256 -1.609510 0.914710
C 5.748592 1.211019 0.844792
C 6.724078 -0.981867 1.334201
C 6.831532 0.432038 1.299016
H -4.234230 1.989920 0.826334
H -5.032087 0.700552 -1.854044
H -6.495507 -0.014560 0.196257
H -3.854014 -0.455831 1.775008
H -2.522468 0.399565 -0.074418
H -6.010863 -2.438798 0.791292
H -5.771630 -1.936253 2.504508
H -4.135748 3.162593 -1.682587
H -3.222785 2.129581 -2.680666
H -6.575534 2.693962 0.572588
H -5.601327 1.027577 2.728149
H -1.292326 -1.650677 -2.881268
H -1.726906 -2.103899 -1.205922
H -3.725044 -3.207712 0.937804
H 0.814570 -2.390750 -0.842605
H -0.965743 1.488493 -1.724793
H 1.168893 2.603149 -0.968888
H 5.423777 -2.698344 0.931218
H 5.803663 2.303577 0.807330
H 7.566652 -1.585602 1.687641
H 7.757061 0.918165 1.625346


