%chk=000040358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040358

0 1
 O   -1.763500      0.9986000      -1.140600    
 O   -2.019200      0.9465000       1.255800    
 N    2.049900      6.7000002E-02  0.4394000    
 N    4.727000     -0.6497000     -0.3840000    
 C   0.5996000      0.1049000      0.2636000    
 C    2.726400      0.7752000     -0.6542000    
 C    2.528600      -1.318100      0.5259000    
 C   0.1011000       1.547700      0.2825000    
 C   -1.410000       1.613700      0.1228000    
 C    4.247500      0.7350000     -0.4711000    
 C    4.049800      -1.359300      0.7081000    
 C   -1.888600       3.064800      0.1033000    
 C    6.177400     -0.6866000     -0.2065000    
 C   -2.573100     -1.6200000E-02 -0.7287000    
 C   -2.718900     -4.6000000E-02  0.6392000    
 C   -3.198500     -0.9349000      -1.546000    
 C   -3.498200     -0.9963000       1.266000    
 C   -3.994200      -1.907900     -0.9366000    
 C   -4.143200      -1.938400      0.4613000    
 H   0.3194000     -0.3967000     -0.6708000    
 H   0.1358000     -0.4491000       1.088100    
 H    2.472600       1.838500     -0.6724000    
 H    2.457000      0.3487000      -1.629900    
 H    2.249300      -1.886400     -0.3719000    
 H    2.066200      -1.818300       1.385600    
 H   0.4023000       2.024800       1.223900    
 H   0.5261000       2.121800     -0.5462000    
 H    4.712400       1.233600      -1.330500    
 H    4.527300       1.303100      0.4268000    
 H    4.316500     -0.9257000       1.681600    
 H    4.367000      -2.409200      0.7207000    
 H   -1.638700       3.579100       1.037200    
 H   -1.458900       3.616100     -0.7398000    
 H   -2.978500       3.106600     -6.3999998E-03
 H    6.535900      -1.721700     -0.1875000    
 H    6.494700     -0.1948000      0.7201000    
 H    6.680000     -0.1955000      -1.047000    
 H   -3.080600     -0.9081000      -2.623200    
 H   -3.610100      -1.016300       2.344100    
 H   -4.503200      -2.649000      -1.546800    
 H   -4.766000      -2.702900      0.9180000    


%chk=000040358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040358

0 1
O -1.880609 0.967203 -1.124880
O -1.937053 0.688929 1.265818
N 2.197299 0.113727 0.278795
N 4.948525 -0.645191 -0.265885
C 0.724155 0.118904 0.096869
C 2.932264 0.657360 -0.891878
C 2.707806 -1.242361 0.608522
C 0.139101 1.541877 0.201132
C -1.389439 1.580506 0.171349
C 4.442154 0.705226 -0.605038
C 4.215963 -1.192631 0.900275
C -2.011088 2.966777 0.318910
C 6.410625 -0.667734 -0.075865
C -2.817483 -0.025754 -0.762291
C -2.851562 -0.188560 0.641393
C -3.612987 -0.796934 -1.614087
C -3.681951 -1.129367 1.256219
C -4.466668 -1.758725 -1.002773
C -4.500630 -1.921387 0.401707
H 0.420112 -0.339628 -0.875796
H 0.282579 -0.493245 0.903981
H 2.576377 1.681466 -1.105233
H 2.757010 0.032581 -1.804408
H 2.529323 -1.963228 -0.228893
H 2.172033 -1.612901 1.502286
H 0.483639 1.998713 1.147152
H 0.496892 2.182480 -0.626446
H 4.976134 1.068387 -1.503518
H 4.626687 1.433403 0.226753
H 4.383905 -0.572345 1.818307
H 4.586040 -2.215193 1.104106
H -1.719755 3.410235 1.286197
H -1.667429 3.625539 -0.496874
H -3.111043 2.896620 0.277617
H 6.745784 -1.703842 0.112038
H 6.758220 -0.032029 0.778741
H 6.910836 -0.308427 -0.993440
H -3.576393 -0.665274 -2.698779
H -3.697968 -1.248357 2.342880
H -5.107414 -2.380492 -1.636647
H -5.167591 -2.667727 0.845586


