%chk=000017361.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017361

1 1
 O    2.186200       1.330300      0.3865000    
 N    5.508700     -0.3177000     -2.6500000E-02
 C    4.446000      0.5565000      0.6235000    
 C    5.029900      -1.761900     -5.5399999E-02
 C    6.799500     -0.2272000      0.7750000    
 C    5.760000      0.1619000      -1.448700    
 C    3.172000      0.4875000     -0.1952000    
 C    4.781800      -2.233100       1.360900    
 C    7.852000      -1.097900      0.1243000    
 C    6.235800       1.597800      -1.413700    
 C   0.8777000      0.9607000      0.2150000    
 C  -6.2300000E-02   1.289800       1.184800    
 C   0.5041000      0.2606000     -0.9264000    
 C   -1.394200      0.9134000       1.011000    
 C  -0.8278000     -0.1156000      -1.100200    
 C   -1.776800      0.2108000     -0.1315000    
 C   -3.165300     -0.1822000     -0.3135000    
 C   -4.223900      0.3765000      0.3196000    
 C   -5.632400     -8.2999999E-03  0.1211000    
 C   -5.926800      -1.247000     -0.4253000    
 C   -6.635100      0.8762000      0.4846000    
 C   -7.260100      -1.611100     -0.6136000    
 C   -7.968300      0.5119000      0.2964000    
 C   -8.280700     -0.7318000     -0.2527000    
 H    4.813700       1.583100      0.7157000    
 H    4.284100      0.2475000       1.660400    
 H    5.772900      -2.383900     -0.5613000    
 H    4.136700      -1.847500     -0.6791000    
 H    6.611300     -0.5227000       1.810500    
 H    7.120100      0.8160000      0.8390000    
 H    4.855500      4.0899999E-02  -2.049900    
 H    6.492100     -0.4911000      -1.931000    
 H    2.792000     -0.5356000     -0.2042000    
 H    3.301300      0.8531000      -1.214900    
 H    4.441500      -3.275600       1.304300    
 H    5.671000      -2.267900       1.992800    
 H    3.977400      -1.709000       1.880400    
 H    8.766500      -1.009600      0.7258000    
 H    7.625400      -2.165600      0.1248000    
 H    8.150900     -0.7821000     -0.8768000    
 H    6.399300       1.915100      -2.452100    
 H    5.508500       2.309200      -1.018100    
 H    7.200900       1.744800     -0.9254000    
 H   0.2334000       1.832400       2.078200    
 H    1.203100      1.3300000E-02  -1.719400    
 H   -2.091300       1.170500       1.802800    
 H   -1.108700     -0.6559000      -2.001200    
 H   -3.315200     -0.9672000      -1.049600    
 H   -4.083100       1.198700       1.016000    
 H   -5.167200      -1.972000     -0.6992000    
 H   -6.408400       1.849200      0.9123000    
 H   -7.504200      -2.581400      -1.036100    
 H   -8.763500       1.196400      0.5772000    
 H   -9.318900      -1.015900     -0.3980000    


%chk=000017361-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017361

1 1
O 2.155276 0.378942 0.801753
N 5.753807 -0.343019 -0.034911
C 4.460846 0.141739 0.642980
C 5.816645 -1.895422 -0.077027
C 6.927657 0.238685 0.804090
C 5.834602 0.145170 -1.508666
C 3.144869 -0.320269 -0.004237
C 5.761055 -2.600514 1.281447
C 8.334892 -0.111011 0.311696
C 5.734438 1.659728 -1.716505
C 0.781688 0.183166 0.467001
C -0.138247 0.888663 1.276669
C 0.330187 -0.641149 -0.585760
C -1.514129 0.769118 1.028855
C -1.058046 -0.749454 -0.819736
C -2.014277 -0.053650 -0.028367
C -3.443816 -0.211920 -0.331367
C -4.488735 0.393660 0.317655
C -5.921440 0.242177 0.020765
C -6.424550 -0.584351 -1.027755
C -6.861759 0.956460 0.819301
C -7.808772 -0.688010 -1.262685
C -8.248338 0.852698 0.584710
C -8.729397 0.029019 -0.458750
H 4.485085 1.242767 0.649273
H 4.489637 -0.197482 1.690574
H 6.749230 -2.144440 -0.609698
H 4.976366 -2.212971 -0.717165
H 6.768560 -0.126303 1.831923
H 6.774956 1.330386 0.814425
H 5.024594 -0.376366 -2.045630
H 6.790505 -0.240937 -1.899059
H 3.001022 -1.418242 0.066786
H 3.065438 -0.016456 -1.068913
H 5.805984 -3.688066 1.094394
H 6.616366 -2.354546 1.932512
H 4.825023 -2.411248 1.833126
H 9.055060 0.352487 1.009040
H 8.541103 -1.194425 0.316200
H 8.558118 0.293338 -0.689548
H 5.826424 1.852750 -2.800104
H 4.765364 2.080201 -1.400296
H 6.546360 2.221055 -1.224493
H 0.238708 1.519544 2.087437
H 1.022192 -1.198974 -1.225427
H -2.208946 1.323545 1.667295
H -1.409252 -1.389307 -1.637905
H -3.665162 -0.888903 -1.168013
H -4.267350 1.072300 1.154443
H -5.733553 -1.149179 -1.663338
H -6.495120 1.597475 1.631059
H -8.176855 -1.327474 -2.072649
H -8.951811 1.411056 1.211663
H -9.805403 -0.054745 -0.645167


