%chk=000049712.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049712

0 1
 O   0.4130000       1.283700      0.5604000    
 O  -8.5400000E-02   1.270900      -1.698000    
 N    3.667600     -0.3039000     -0.1280000    
 C   -1.848000       1.337500     -0.1195000    
 C   -2.673200       2.459700     -0.6711000    
 C   -2.266600       2.465500      0.7733000    
 C   -2.491300      1.2200000E-02  6.7199998E-02
 C  -0.4190000       1.293900     -0.5220000    
 C   -3.121400     -0.6206000      -1.007800    
 C   -2.468200     -0.6101000       1.318200    
 C    1.804000       1.241900      0.2701000    
 C   -3.723600      -1.866600     -0.8329000    
 C   -3.070300      -1.856100       1.493100    
 C    2.242400     -0.2116000      0.1872000    
 C   -3.698000      -2.484300      0.4175000    
 C    4.074800      -1.703300     -0.2479000    
 C    4.462400      0.3739000      0.8955000    
 C    3.258800      -2.423700      -1.307800    
 C    5.942100      0.3410000      0.5527000    
 H   -2.203100       3.185600      -1.325000    
 H   -3.723300       2.300100     -0.8881000    
 H   -3.049100       2.309200       1.507300    
 H   -1.530600       3.200600       1.079000    
 H   -3.145200     -0.1546000      -1.989600    
 H   -1.978400     -0.1359000       2.165000    
 H    2.044300       1.802600     -0.6418000    
 H    2.266700       1.770100       1.107100    
 H   -4.211000      -2.356700      -1.670600    
 H   -3.049200      -2.337700       2.466300    
 H    1.995300     -0.7292000       1.124000    
 H    1.627600     -0.6753000     -0.5911000    
 H   -4.166200      -3.454800      0.5534000    
 H    5.116300      -1.774400     -0.5778000    
 H    3.992000      -2.238400      0.7066000    
 H    4.219600       1.438800      0.9454000    
 H    4.300700     -5.2400000E-02   1.893400    
 H    3.739400      -3.378000      -1.552200    
 H    3.194700      -1.846200      -2.236500    
 H    2.247900      -2.666800     -0.9662000    
 H    6.484400       1.041300       1.198300    
 H    6.126400      0.6446000     -0.4836000    
 H    6.388700     -0.6440000      0.7199000    


%chk=000049712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049712

0 1
O 0.138206 0.402371 0.489889
O 0.214702 1.525932 -1.553542
N 3.713803 -0.716790 -0.138386
C -1.950468 0.908937 -0.591369
C -2.609654 0.870462 -1.996182
C -2.650532 2.160008 -1.194311
C -2.606778 0.175430 0.552255
C -0.447699 0.985487 -0.628532
C -2.890047 -1.209287 0.449439
C -2.932729 0.852886 1.753375
C 1.635092 0.432095 0.541708
C -3.486481 -1.904633 1.524610
C -3.528908 0.161625 2.830975
C 2.234822 -0.755271 -0.236961
C -3.807038 -1.220942 2.720522
C 4.392394 -0.419083 -1.424774
C 4.308864 -1.844514 0.623868
C 4.096831 1.000635 -1.946962
C 5.672417 -1.499974 1.255038
H -1.931558 0.831804 -2.852630
H -3.529844 0.285860 -2.082838
H -3.596543 2.452044 -0.729960
H -1.999906 2.976626 -1.517818
H -2.640627 -1.739979 -0.477316
H -2.714247 1.923807 1.841075
H 1.996460 1.386473 0.124712
H 1.869167 0.365287 1.615257
H -3.701021 -2.975446 1.431652
H -3.775598 0.697471 3.754686
H 1.830310 -1.700831 0.176085
H 1.904580 -0.695731 -1.292861
H -4.271392 -1.758260 3.555248
H 5.481128 -0.518188 -1.264077
H 4.114152 -1.168719 -2.210064
H 3.604819 -2.101512 1.437341
H 4.412719 -2.762810 -0.009598
H 4.632188 1.175195 -2.898987
H 4.432621 1.754810 -1.212931
H 3.019101 1.158749 -2.134264
H 6.037411 -2.348152 1.863921
H 5.575421 -0.611860 1.903714
H 6.441861 -1.283512 0.492391


