%chk=000060815.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060815

0 1
 O  -0.6009000       2.884700      0.5775000    
 O   -1.559200       1.495400       2.155000    
 O   -3.002800       2.184100      -1.047800    
 O    6.517100      -1.510400     -0.1719000    
 O    6.330800      0.7885000     -0.1149000    
 N    2.103700      0.3448000     -0.4672000    
 N   -2.111000      0.1425000     -0.2406000    
 C  -0.7754000      0.6072000      5.3399999E-02
 C   7.2499998E-02 -0.5180000      0.6546000    
 C  -0.1087000       1.178000      -1.201900    
 C    1.542900     -0.1177000      0.8087000    
 C    1.368800       1.510800     -0.9741000    
 C   -1.035400       1.688200       1.066100    
 C    3.523700      0.6619000     -0.3164000    
 C   -2.435200      -1.257500      2.2399999E-02
 C   -3.128400      0.9874000     -0.7760000    
 C    4.355700     -0.6172000     -0.3172000    
 C   -4.485700      0.3177000     -0.9716000    
 C   -2.242200      -2.216700     -0.9719000    
 C   -2.937000      -1.635500       1.268000    
 C    5.834400     -0.3270000     -0.1899000    
 C   -5.528000       1.257600      -1.557900    
 C  -0.7887000       4.007700       1.444500    
 C   -2.551200      -3.553500     -0.7209000    
 C   -3.245900      -2.972400       1.518900    
 C   -3.053000      -3.931300      0.5245000    
 C    7.939200      -1.399600     -5.3599998E-02
 H  -0.2892000     -0.8233000       1.644500    
 H   7.7699997E-02  -1.407900      1.3800000E-02
 H  -0.1675000      0.4246000      -2.001800    
 H  -0.6126000       2.059400      -1.614900    
 H    1.634000      0.6584000       1.580400    
 H    2.077900     -0.9984000       1.178800    
 H    1.785800       1.804900      -1.946000    
 H    1.504800       2.370100     -0.3090000    
 H    3.715600       1.261900      0.5829000    
 H    3.864300       1.269600      -1.165900    
 H    4.087300      -1.265300      0.5231000    
 H    4.198100      -1.165400      -1.253600    
 H   -4.378800     -0.5310000      -1.654000    
 H   -4.856100     -3.8600001E-02 -5.2999998E-03
 H   -1.851900      -1.932300      -1.945600    
 H   -3.094400     -0.8975000       2.049800    
 H   -5.211300       1.635700      -2.535500    
 H   -5.695400       2.118300     -0.9018000    
 H   -6.481700      0.7361000      -1.686000    
 H   -1.853800       4.154800       1.647400    
 H  -0.2330000       3.863400       2.375900    
 H  -0.4014000       4.895800      0.9384000    
 H   -2.401000      -4.300200      -1.495200    
 H   -3.637300      -3.266500       2.488400    
 H   -3.293600      -4.972200      0.7199000    
 H    8.348400     -0.8506000     -0.9070000    
 H    8.203700     -0.9067000      0.8867000    
 H    8.359700      -2.408800     -5.1300000E-02


%chk=000060815-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060815

0 1
O -0.398985 2.900887 0.836703
O -1.819489 1.554067 2.083811
O -2.941769 2.184194 -0.749250
O 6.654540 -1.302517 0.335766
O 6.366271 0.400852 -1.224950
N 2.110658 0.339837 -0.481573
N -2.187097 0.035676 -0.317359
C -0.828286 0.616010 0.020359
C 0.073310 -0.453588 0.703096
C -0.137790 1.089789 -1.290945
C 1.525960 0.038038 0.848343
C 1.354704 1.443122 -1.137015
C -1.104710 1.730884 1.068038
C 3.561741 0.635776 -0.429330
C -2.494401 -1.357938 -0.057514
C -3.186393 0.936504 -0.703218
C 4.397824 -0.621447 -0.115023
C -4.562858 0.360506 -1.047128
C -2.359532 -2.324185 -1.082665
C -2.939995 -1.745490 1.230037
C 5.872492 -0.415794 -0.413704
C -5.522597 1.434357 -1.589682
C -0.693673 4.011937 1.774481
C -2.671924 -3.677788 -0.821030
C -3.250831 -3.099144 1.487498
C -3.118705 -4.067148 0.463461
C 8.115214 -1.240871 0.081549
H -0.337086 -0.722412 1.692272
H 0.084367 -1.362269 0.075504
H -0.223621 0.249654 -2.006661
H -0.684369 1.954677 -1.700309
H 1.571820 0.928503 1.528055
H 2.112971 -0.765661 1.326921
H 1.783120 1.601636 -2.144488
H 1.455553 2.396772 -0.569797
H 3.801667 1.441807 0.310333
H 3.871890 1.013423 -1.419977
H 4.296552 -0.958676 0.930483
H 4.029432 -1.448398 -0.754834
H -4.446185 -0.466059 -1.773880
H -4.984587 -0.107676 -0.135485
H -2.011686 -2.010683 -2.073311
H -3.027443 -0.978305 2.007986
H -5.130603 1.884896 -2.517614
H -5.649931 2.251410 -0.860152
H -6.511463 0.990064 -1.803245
H -1.753599 4.298876 1.677239
H -0.489154 3.705344 2.814025
H -0.030011 4.828864 1.458198
H -2.566528 -4.424444 -1.615896
H -3.594760 -3.397787 2.483990
H -3.361126 -5.116496 0.664927
H 8.329383 -1.467739 -0.976509
H 8.502494 -0.236114 0.320210
H 8.547626 -2.001734 0.746161


