%chk=000157359.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157359

0 1
 O  -0.9145000      0.4358000       1.405100    
 O    2.349800      -3.561900     -0.5494000    
 O    1.016200       2.086700       1.024700    
 O    4.187500      -1.774600     -0.8688000    
 O   -2.921300      -2.761600     -0.8648000    
 N   -3.917100      -1.110500      0.4280000    
 N   -5.426700       2.153900     -5.2700002E-02
 C    1.235600     -0.2087000      0.5024000    
 C    2.064700      -1.217400      7.3000002E-03
 C  -0.5349000      -1.826700      0.8291000    
 C  -6.7199998E-02 -0.5149000      0.9138000    
 C   -4.655100      0.2797000      -1.478000    
 C   -1.921200      -2.177000       1.261700    
 C    3.098700       1.492000      0.1580000    
 C    3.927800      0.4833000     -0.3374000    
 C   -5.005900     -0.8168000     -0.4741000    
 C    1.722300       1.182800      0.5961000    
 C   -4.319200       1.633100     -0.8450000    
 C    1.591400      -2.532400     -7.5800002E-02
 C    3.441100     -0.9081000     -0.4310000    
 C   0.2926000      -2.833300      0.3355000    
 C   -2.955100      -2.071300      0.1507000    
 C    3.572100       2.807000      0.2413000    
 C    5.230300      0.7896000     -0.7495000    
 C    4.870700       3.107900     -0.1707000    
 C    5.698000       2.101300     -0.6648000    
 C   -6.611100       2.352300     -0.8901000    
 C   -5.049400       3.409700      0.5983000    
 H   -5.457800      0.3724000      -2.217700    
 H   -3.774000     -4.1999999E-02  -2.049600    
 H   -1.951200      -3.214500       1.621300    
 H   -2.212500      -1.580600       2.134800    
 H   -5.871300     -0.5397000      0.1359000    
 H   -5.268300      -1.731500      -1.017400    
 H   -4.038200       2.336300      -1.640300    
 H   -3.432800       1.512400     -0.2094000    
 H  -7.7900000E-02  -3.853800      0.2696000    
 H   -3.862300     -0.5734000       1.288200    
 H    2.948300       3.610900      0.6226000    
 H    5.896200      2.4200000E-02  -1.138700    
 H    5.237300       4.128300     -0.1059000    
 H    6.708500       2.338400     -0.9848000    
 H   -7.047700       1.403100      -1.215100    
 H   -6.401200       2.970300      -1.770700    
 H   -7.403300       2.848400     -0.3162000    
 H   -5.863000       3.773200       1.236000    
 H   -4.801800       4.193500     -0.1269000    
 H   -4.183800       3.258700       1.253000    
 H  -0.5017000       1.311800       1.390400    
 H    1.834800      -4.386300     -0.5224000    


%chk=000157359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157359

0 1
O -1.375158 -0.018719 1.926032
O 2.028582 -3.294519 -1.084129
O 0.171283 1.869224 1.609244
O 3.696060 -1.206218 -1.344222
O -3.883299 -3.335319 -0.068030
N -3.844872 -1.141899 0.736293
N -3.978555 2.126272 -0.454935
C 0.704346 -0.275455 0.657139
C 1.596974 -1.103502 -0.118386
C -0.864973 -2.178049 0.992641
C -0.510913 -0.806543 1.195918
C -4.575493 -0.127047 -1.453568
C -2.147741 -2.725710 1.575150
C 2.241130 1.725571 0.383033
C 3.136699 0.919163 -0.376474
C -4.987755 -0.675803 -0.066493
C 1.003295 1.136824 0.915281
C -3.568201 1.041379 -1.381437
C 1.214188 -2.456606 -0.330020
C 2.858568 -0.532498 -0.662567
C 0.005639 -2.966821 0.230995
C -3.375786 -2.431397 0.665720
C 2.540415 3.091252 0.629218
C 4.327309 1.495750 -0.880864
C 3.726411 3.652748 0.121848
C 4.621651 2.851783 -0.634766
C -5.220788 2.808837 -0.872702
C -2.884276 3.090640 -0.215098
H -5.494368 0.179100 -1.991172
H -4.121827 -0.943449 -2.046686
H -2.091699 -3.821019 1.671389
H -2.319444 -2.281156 2.571249
H -5.498179 0.115105 0.509701
H -5.675856 -1.528716 -0.200393
H -3.392723 1.429953 -2.419017
H -2.596417 0.652705 -1.020114
H -0.260349 -4.018301 0.057789
H -3.318004 -0.461527 1.298240
H 1.831303 3.681393 1.217342
H 5.000403 0.856929 -1.461077
H 3.959988 4.705743 0.310640
H 5.545031 3.290015 -1.028452
H -6.057665 2.091559 -0.926276
H -5.130305 3.307518 -1.871567
H -5.484788 3.580478 -0.127732
H -3.202621 3.834261 0.537585
H -2.575879 3.645190 -1.137864
H -1.995662 2.568049 0.180525
H -0.921672 0.939665 1.978445
H 1.622393 -4.196830 -1.160776


