%chk=000047006.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047006

0 1
 O    1.323100       1.518500      0.5761000    
 O    3.062600       3.025300      0.6277000    
 N   -2.823700      0.8372000     -1.7400000E-02
 C   -3.163400     -0.1168000      -1.098400    
 C   -4.581800     -0.6834000     -0.8861000    
 C   -3.801900       1.937500      4.8300002E-02
 C   -5.625300      0.4209000     -0.7778000    
 C   -2.184100      -1.296800      -1.175900    
 C   -5.218900       1.423200      0.2911000    
 C   -1.478000       1.398900     -0.1661000    
 C   -1.870300      -1.836900      0.2132000    
 C  -0.9631000       1.902900       1.178200    
 C  -0.9182000      -3.031100      0.1294000    
 C  -0.5682000      -3.561900       1.519300    
 C   0.4263000       2.512900       1.051300    
 C   0.4043000      -4.727900       1.441600    
 C    2.616700       1.909900      0.4079000    
 C    3.447000      0.7849000     -9.1600001E-02
 C    4.807600      0.9757000     -0.3326000    
 C    2.866700     -0.4629000     -0.3192000    
 C    5.587900     -8.1200004E-02 -0.8016000    
 C    3.647000      -1.519900     -0.7881000    
 C    5.007600      -1.328900      -1.029300    
 H   -3.145800      0.4021000      -2.067200    
 H   -4.850800      -1.342400      -1.720700    
 H   -4.633100      -1.291900      2.4200000E-02
 H   -3.785500       2.526000     -0.8791000    
 H   -3.572700       2.625900      0.8675000    
 H   -5.722900      0.9306000      -1.744100    
 H   -6.604800     -8.0000004E-03 -0.5394000    
 H   -2.607500      -2.094900      -1.799400    
 H   -1.257500     -0.9962000      -1.679100    
 H   -5.275900      0.9512000       1.280200    
 H   -5.922700       2.263100      0.2964000    
 H   -1.466400       2.203700     -0.9132000    
 H  -0.7585000      0.6600000     -0.5256000    
 H   -1.399400      -1.086000      0.8527000    
 H   -2.784100      -2.160800      0.7225000    
 H   -1.620500       2.663500       1.609900    
 H  -0.9221000       1.065500       1.886100    
 H   -1.378600      -3.830300     -0.4642000    
 H   1.1000000E-03  -2.731800     -0.3890000    
 H  -0.1205000      -2.762900       2.121900    
 H   -1.479700      -3.885700       2.035000    
 H   0.4065000       3.359600      0.3550000    
 H   0.7602000       2.866300       2.033700    
 H  -2.3300000E-02  -5.558000      0.8704000    
 H   0.6401000      -5.092500       2.446300    
 H    1.340600      -4.426200      0.9613000    
 H    5.278900       1.939800     -0.1615000    
 H    1.812000     -0.6561000     -0.1447000    
 H    6.647300      6.7199998E-02 -0.9894000    
 H    3.195400      -2.491800     -0.9649000    
 H    5.615100      -2.151900      -1.394200    


%chk=000047006-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047006

0 1
O 1.238245 1.675942 0.500683
O 3.061737 3.026456 -0.028647
N -2.924027 0.994849 -0.014656
C -3.317532 -0.058240 -1.009888
C -4.647759 -0.725296 -0.572299
C -4.002592 2.008526 0.155291
C -5.784002 0.299070 -0.382062
C -2.221381 -1.136333 -1.232362
C -5.330994 1.382431 0.617455
C -1.630444 1.650745 -0.336900
C -1.675710 -1.821589 0.042143
C -1.043618 2.444644 0.851812
C -0.689351 -2.964648 -0.289248
C -0.105554 -3.657211 0.963424
C 0.391290 2.904082 0.593982
C 0.777034 -4.877738 0.620705
C 2.583390 1.882953 0.182288
C 3.353446 0.605769 0.128292
C 4.729758 0.674478 -0.211814
C 2.754670 -0.650674 0.406539
C 5.501033 -0.503930 -0.274406
C 3.531543 -1.827007 0.344944
C 4.903337 -1.756610 0.004471
H -3.506172 0.427812 -2.008380
H -4.928839 -1.478184 -1.334223
H -4.482141 -1.261425 0.381827
H -4.177041 2.560815 -0.808333
H -3.670517 2.752459 0.900855
H -6.026834 0.773169 -1.355849
H -6.704557 -0.203103 -0.028286
H -2.667659 -1.909512 -1.891710
H -1.372930 -0.715709 -1.808119
H -5.186972 0.929594 1.617597
H -6.095390 2.177622 0.715079
H -1.721900 2.329887 -1.226634
H -0.897014 0.873075 -0.600989
H -1.182757 -1.068501 0.687826
H -2.513871 -2.231384 0.639263
H -1.641792 3.351637 1.065786
H -1.078072 1.808659 1.755850
H -1.206839 -3.723735 -0.913699
H 0.142876 -2.570271 -0.910448
H 0.482068 -2.920565 1.549612
H -0.937311 -3.978948 1.622902
H 0.493678 3.470023 -0.350953
H 0.783636 3.530098 1.415546
H 0.187423 -5.655753 0.100122
H 1.212068 -5.334914 1.528684
H 1.609874 -4.593006 -0.050924
H 5.168650 1.655815 -0.420384
H 1.694113 -0.691671 0.671226
H 6.562791 -0.449191 -0.537846
H 3.070379 -2.795780 0.564703
H 5.503334 -2.672486 -0.042449


