%chk=000117258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117258

0 1
 O   2.7899999E-02   1.031000      -1.379600    
 O   -6.243300      0.1611000      5.0700001E-02
 N    1.513900     -0.1777000     -8.5699998E-02
 N  -0.7323000     -0.3981000      0.3204000    
 C    3.849900     -0.7472000     -0.7262000    
 C    2.719500      0.3041000     -0.7229000    
 C    4.433500     -0.9668000      0.6782000    
 C    3.183100       1.609200     -6.5499999E-02
 C    4.885100      0.3470000       1.311900    
 C    3.768300       1.385500       1.328700    
 C    3.408900      -2.075900      -1.343300    
 C   0.2334000      0.2306000     -0.4704000    
 C   -2.137900     -0.2559000      0.2512000    
 C   -2.935600     -0.9698000       1.130400    
 C   -2.687700      0.5945000     -0.6941000    
 C   -4.321800     -0.8294000       1.062300    
 C   -4.073900      0.7349000     -0.7620000    
 C   -4.890900      2.2900000E-02  0.1160000    
 H    4.658500     -0.3527000      -1.357800    
 H    2.464100      0.5309000      -1.766300    
 H    5.290200      -1.649300      0.6217000    
 H    3.692900      -1.448400       1.328300    
 H    2.355100       2.325200      9.9999997E-05
 H    3.950800       2.073000     -0.6982000    
 H    5.741700      0.7438000      0.7529000    
 H    5.231700      0.1620000       2.334900    
 H    2.976800       1.060500       2.014800    
 H    4.155400       2.333500       1.719400    
 H    4.261000      -2.758000      -1.435300    
 H    2.648300      -2.575300     -0.7343000    
 H    2.996400      -1.920300      -2.345700    
 H    1.600700     -0.7801000      0.7267000    
 H  -0.3911000      -1.037600       1.033800    
 H   -2.502600      -1.636100       1.871100    
 H   -2.124500       1.178200      -1.406900    
 H   -4.953100      -1.386400       1.749200    
 H   -4.506200       1.402100      -1.503200    
 H   -6.462000      0.7888000     -0.6595000    


%chk=000117258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117258

0 1
O 0.063005 0.950250 -1.398254
O -6.384658 0.151951 0.113485
N 1.552631 -0.219142 -0.031597
N -0.751051 -0.438571 0.335345
C 3.894320 -0.755761 -0.726180
C 2.752966 0.303527 -0.720623
C 4.469332 -0.968570 0.701032
C 3.238628 1.633293 -0.080439
C 4.939512 0.361439 1.338446
C 3.808986 1.418812 1.340364
C 3.472542 -2.080406 -1.394853
C 0.270538 0.155326 -0.428952
C -2.156511 -0.242096 0.216424
C -2.998501 -0.960569 1.110211
C -2.746986 0.627556 -0.737377
C -4.397023 -0.818465 1.061909
C -4.150281 0.769065 -0.782362
C -4.977290 0.051334 0.111871
H 4.707658 -0.306968 -1.335732
H 2.435746 0.508560 -1.759639
H 5.309363 -1.688627 0.651572
H 3.704357 -1.444353 1.354709
H 2.397551 2.350032 -0.066455
H 4.024580 2.066972 -0.732122
H 5.800358 0.752932 0.758023
H 5.303403 0.183976 2.368940
H 2.994958 1.088105 2.018319
H 4.183500 2.377593 1.746416
H 4.330304 -2.774393 -1.467618
H 2.673925 -2.588357 -0.823002
H 3.085817 -1.905273 -2.415596
H 1.691933 -0.798949 0.796822
H -0.469940 -1.101329 1.060555
H -2.557077 -1.638950 1.852101
H -2.103060 1.174928 -1.427480
H -5.047208 -1.369477 1.747273
H -4.594053 1.445963 -1.524391
H -6.688074 0.782441 -0.585346


