%chk=000049369.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049369

0 1
 O   0.3024000      -1.676000     -0.4599000    
 O    3.232800       1.779800     -0.2204000    
 O   -1.225100       2.717000      7.7900000E-02
 N  -0.6167000      0.4408000     -4.0300000E-02
 N   0.9740000       2.195700     -0.1797000    
 C    1.753800     -4.6000001E-03  0.4914000    
 C    2.886600     -0.9738000      0.1158000    
 C    1.651600      6.7299999E-02   2.025300    
 C   0.4199000     -0.5195000     -4.9800001E-02
 C    2.085500       1.382800     -2.7500000E-02
 C    3.088200      -1.014900      -1.391300    
 C    1.354100      -1.294200       2.612800    
 C  -0.3702000       1.836600     -4.9400002E-02
 C    4.192400      -1.991100      -1.764100    
 C   -1.981400     -3.5200000E-02 -0.1171000    
 C   -2.305700      -1.278600      0.4118000    
 C   -2.952200      0.7566000     -0.7184000    
 C   -3.620900      -1.737300      0.3382000    
 C   -4.267400      0.2978000     -0.7918000    
 C   -4.601800     -0.9491000     -0.2635000    
 H    2.673400      -1.996500      0.4470000    
 H    3.825500     -0.6739000      0.6000000    
 H   0.8619000      0.7629000       2.335600    
 H    2.583000      0.4565000       2.456100    
 H    3.368800     -3.8600001E-02  -1.796600    
 H    2.181100      -1.319800      -1.921000    
 H   0.4538000      -1.759800       2.206700    
 H    2.191400      -1.989800       2.510700    
 H    1.185600      -1.184900       3.690900    
 H    1.159300       3.177500     -0.3656000    
 H    5.143800      -1.703400      -1.304900    
 H    3.946100      -3.007100      -1.439300    
 H    4.332900      -2.008600      -2.849600    
 H   -1.590900      -1.904200      0.9354000    
 H   -2.739700       1.696600      -1.214600    
 H   -3.884100      -2.703300      0.7594000    
 H   -5.028500      0.9032000      -1.275500    
 H   -5.625500      -1.306900     -0.3220000    


%chk=000049369-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049369

0 1
O 0.118660 -1.760154 0.014089
O 3.227588 1.897585 0.372926
O -1.302463 2.700990 -0.121991
N -0.644101 0.443219 0.064496
N 0.953921 2.219792 0.128648
C 1.780831 -0.077636 0.631352
C 2.878348 -0.965005 -0.021083
C 1.825773 -0.187745 2.220290
C 0.385335 -0.544928 0.185803
C 2.071801 1.400318 0.346129
C 2.954270 -0.853036 -1.560843
C 1.665569 -1.610189 2.791376
C -0.400107 1.841250 0.023202
C 4.060855 -1.757890 -2.143374
C -2.022059 -0.007639 -0.120609
C -2.665260 -0.691522 0.932397
C -2.686429 0.235272 -1.340813
C -3.991786 -1.141387 0.759305
C -4.015515 -0.211148 -1.504915
C -4.669410 -0.901064 -0.458242
H 2.678437 -2.015494 0.252305
H 3.849844 -0.669689 0.417802
H 1.041696 0.473315 2.641758
H 2.801547 0.234501 2.526963
H 3.152445 0.197443 -1.850914
H 1.979255 -1.141278 -2.000825
H 0.737612 -2.096182 2.444579
H 2.510326 -2.261126 2.509452
H 1.638025 -1.558192 3.895151
H 1.125478 3.226681 0.034522
H 5.053453 -1.477200 -1.744163
H 3.879677 -2.818767 -1.887905
H 4.105097 -1.678437 -3.244720
H -2.132524 -0.875200 1.871150
H -2.176470 0.774582 -2.145007
H -4.493875 -1.675872 1.572712
H -4.538041 -0.020200 -2.448193
H -5.700000 -1.247966 -0.590113


