%chk=000030160.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030160

0 1
 O   4.5000002E-02   1.554600     -0.9431000    
 O   0.6876000       2.158100       1.192300    
 N   -3.861500      0.1370000     -0.2047000    
 C    2.828000      0.3945000       1.237000    
 C    4.197300      0.9857000     -0.4161000    
 C    1.857000      0.4118000      7.6000001E-03
 C    3.768300       1.568200      0.9244000    
 C    2.849100      0.7820000      -1.140600    
 C    3.820500     -0.7866000       1.154400    
 C    4.745200     -0.3879000     -1.9000000E-03
 C    1.161100     -0.8859000     -0.2293000    
 C   0.8106000       1.478100      0.1825000    
 C   0.8216000      -1.702600      0.8494000    
 C   0.8502000      -1.283300      -1.529800    
 C   0.1711000      -2.916300      0.6276000    
 C   0.1996000      -2.497000      -1.751600    
 C  -0.9970000       2.535100     -0.9125000    
 C  -0.1399000      -3.313500     -0.6730000    
 C   -2.337200       1.834900      -1.092800    
 C   -2.582800      0.8051000      5.1000002E-03
 C   -4.964600      0.9734000      0.2716000    
 C   -3.881600      -1.162000      0.4703000    
 C   -6.307900      0.3181000     -1.1000000E-03
 C   -3.739700      -1.001300       1.974300    
 H    2.340300      0.4740000       2.212700    
 H    4.910800       1.585300     -0.9849000    
 H    3.266700       2.535800      0.8316000    
 H    4.593600       1.660000       1.639100    
 H    2.986600      3.1599998E-02  -1.924100    
 H    2.561900       1.721500      -1.629000    
 H    4.403400     -0.8455000       2.082300    
 H    3.384200      -1.773500      0.9961000    
 H    4.719200      -1.114900     -0.8198000    
 H    5.779500     -0.3083000      0.3512000    
 H    1.022200      -1.412300       1.876300    
 H    1.056500     -0.6607000      -2.395000    
 H  -0.1010000      -3.548500       1.467700    
 H  -5.2700002E-02  -2.801600      -2.763100    
 H  -0.8256000       3.217700      -1.751600    
 H   -1.003800       3.139800      8.9999998E-04
 H  -0.6509000      -4.256200     -0.8452000    
 H   -3.119600       2.599900      -1.118000    
 H   -2.344000       1.325700      -2.065300    
 H   -2.516900       1.290600      0.9871000    
 H   -1.774700      6.6799998E-02 -4.1600000E-02
 H   -4.971900       1.914300     -0.2905000    
 H   -4.884300       1.263100       1.325300    
 H   -3.054900      -1.778800      9.4999999E-02
 H   -4.779600      -1.739200      0.2259000    
 H   -6.380500     -4.3400001E-02  -1.032700    
 H   -6.517800     -0.5116000      0.6805000    
 H   -7.109100       1.051900      0.1424000    
 H   -3.670800      -1.999100       2.424900    
 H   -4.603300     -0.5217000       2.443100    
 H   -2.830400     -0.4731000       2.274800    


%chk=000030160-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030160

0 1
O 0.213822 1.866128 -0.700471
O 0.602946 1.774828 1.596962
N -3.871404 0.245099 -0.250390
C 3.118032 0.441389 1.144915
C 4.185306 1.047971 -0.777098
C 1.967075 0.356417 0.072222
C 3.918814 1.668323 0.623131
C 2.743131 0.711993 -1.262287
C 4.138601 -0.714602 0.914402
C 4.897024 -0.282750 -0.395612
C 1.188773 -0.977786 0.052175
C 0.887904 1.408375 0.432766
C 0.947879 -1.681436 1.262544
C 0.632916 -1.493925 -1.146588
C 0.202385 -2.880533 1.269716
C -0.112499 -2.694838 -1.143165
C -0.949247 2.790084 -0.501872
C -0.327181 -3.397470 0.064608
C -2.251310 2.068109 -0.866828
C -2.605175 0.927181 0.115198
C -5.076714 1.009469 0.156803
C -3.892225 -1.197719 0.104908
C -6.376043 0.495164 -0.491492
C -3.909881 -1.538811 1.621373
H 2.737888 0.524505 2.173811
H 4.749646 1.673376 -1.488713
H 3.327526 2.600938 0.593154
H 4.842970 1.851001 1.200015
H 2.754310 -0.138967 -1.965432
H 2.275809 1.566509 -1.777033
H 4.830082 -0.777357 1.774386
H 3.647631 -1.697049 0.814017
H 4.817529 -1.036645 -1.199497
H 5.971939 -0.113567 -0.200216
H 1.341360 -1.286799 2.205140
H 0.768499 -0.950648 -2.087243
H 0.034355 -3.409448 2.214816
H -0.528634 -3.077267 -2.082196
H -0.751219 3.636176 -1.181062
H -0.944190 3.133695 0.548444
H -0.903226 -4.329720 0.068114
H -3.057414 2.829328 -0.880700
H -2.183152 1.652842 -1.888867
H -2.622812 1.334099 1.157539
H -1.793429 0.177289 0.084370
H -4.924040 2.058731 -0.159204
H -5.201340 1.036310 1.269926
H -2.997996 -1.659779 -0.354692
H -4.769201 -1.661814 -0.383834
H -6.260143 0.446536 -1.588920
H -6.653175 -0.510803 -0.128535
H -7.214857 1.175714 -0.255298
H -3.900370 -2.636270 1.760798
H -4.812806 -1.144303 2.123005
H -3.021368 -1.127475 2.134090


