%chk=000047345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047345

0 1
 O   0.9853000      0.7359000      0.4605000    
 O    3.127400       1.478600      0.9170000    
 O   -3.937400      0.1378000      0.4518000    
 N   0.9269000       3.443800       2.515000    
 C    4.077200      -1.286600      0.6905000    
 C    3.015900      -1.605800     -0.3062000    
 C    2.665300     -0.8328000      0.9197000    
 C    4.611900      -2.426300       1.491200    
 C    5.095300     -0.2351000      0.3982000    
 C    2.989900     -0.8970000      -1.599900    
 C    2.302500      0.5881000      0.7695000    
 C    1.924800     -0.6639000      -2.390400    
 C   0.5278000      -1.110400      -2.063300    
 C    2.067700      7.9899997E-02  -3.689100    
 C   0.5413000       2.086400      0.2954000    
 C  -0.9113000       2.084600     -0.1211000    
 C   0.7549000       2.844600       1.536200    
 C   -1.754600       1.099600      0.3658000    
 C   -1.370900       3.068500     -0.9810000    
 C   -3.095600       1.098300     -1.8200001E-02
 C   -2.711700       3.067200      -1.364900    
 C   -3.574100       2.082300     -0.8835000    
 C   -3.488400      -1.172100      0.4432000    
 C   -2.847100      -1.657100     -0.6823000    
 C   -3.693300      -1.961600       1.560100    
 C   -2.395500      -2.976800     -0.6911000    
 C   -3.241500      -3.281300       1.551300    
 C   -2.592700      -3.788900      0.4256000    
 H    2.670800      -2.633500     -0.3621000    
 H    2.092500      -1.360400       1.677100    
 H    3.837200      -3.160600       1.739000    
 H    5.399600      -2.950200      0.9391000    
 H    5.037200      -2.067800       2.434700    
 H    6.001300     -0.7069000     -2.7000001E-03
 H    4.817300      0.5261000     -0.3347000    
 H    5.391400      0.2754000       1.322100    
 H    3.954700     -0.5720000      -1.983500    
 H  -0.1515000     -0.2530000      -2.060600    
 H   0.1765000      -1.822000      -2.817800    
 H   0.4543000      -1.599900      -1.088500    
 H    1.742500     -0.5494000      -4.523900    
 H    1.452300      0.9856000      -3.675400    
 H    3.101300      0.3842000      -3.884500    
 H    1.133000       2.524400     -0.5198000    
 H   -1.384700      0.3573000       1.067900    
 H  -0.7080000       3.840700      -1.360300    
 H   -3.084500       3.833200      -2.038600    
 H   -4.617600       2.086400      -1.186300    
 H   -2.704800      -1.053100      -1.573400    
 H   -4.197900      -1.567700       2.437100    
 H   -1.895900      -3.374300      -1.569700    
 H   -3.395100      -3.913700       2.420800    
 H   -2.242100      -4.816700      0.4182000    


%chk=000047345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047345

0 1
O 1.038956 0.109057 1.117022
O 2.422377 1.615167 -0.026867
O -4.630998 0.093070 0.329310
N -0.407744 1.040927 4.054735
C 4.510657 -0.806878 -0.040126
C 3.689321 -0.997674 -1.323564
C 2.951296 -0.792148 0.064677
C 5.171412 -2.056106 0.545819
C 5.311964 0.472819 0.183386
C 3.614782 0.014897 -2.407141
C 2.182855 0.435242 0.337957
C 3.535854 -0.242362 -3.747645
C 3.499609 -1.625094 -4.374700
C 3.481191 0.901894 -4.746605
C 0.144285 1.280555 1.459844
C -1.075280 1.286081 0.548746
C -0.163750 1.139362 2.892127
C -2.277369 0.641622 0.922766
C -0.968346 1.935116 -0.706798
C -3.365365 0.639795 0.021143
C -2.070021 1.930456 -1.589588
C -3.271605 1.283280 -1.233637
C -4.773640 -0.986992 1.243325
C -3.888437 -2.089501 1.264871
C -5.921975 -0.953702 2.062625
C -4.159840 -3.164883 2.139854
C -6.182932 -2.039213 2.927324
C -5.302325 -3.145434 2.973734
H 3.614927 -2.039647 -1.656203
H 2.491412 -1.687040 0.492438
H 4.576249 -2.967261 0.351577
H 6.172523 -2.203452 0.098407
H 5.297663 -1.958134 1.640207
H 6.255005 0.425696 -0.392522
H 4.763697 1.377810 -0.119672
H 5.570641 0.577232 1.253574
H 3.622137 1.063843 -2.085464
H 2.589283 -1.744302 -4.995136
H 4.363447 -1.766151 -5.054559
H 3.515154 -2.445531 -3.639110
H 4.332735 0.853910 -5.454866
H 2.558861 0.849698 -5.359482
H 3.505879 1.885475 -4.247153
H 0.744425 2.197301 1.293682
H -2.369506 0.164993 1.904355
H -0.030216 2.426007 -0.986538
H -1.994513 2.433161 -2.559316
H -4.139440 1.271789 -1.899516
H -3.013444 -2.113682 0.607670
H -6.587812 -0.087249 2.009989
H -3.477691 -4.021811 2.162840
H -7.071792 -2.016928 3.567143
H -5.504757 -3.983081 3.649259


