%chk=000090529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090529

0 1
 O   -1.881500       2.043800      0.3159000    
 O   -3.218000      -2.581600       2.331000    
 O   -2.828400      0.3225000      -2.376700    
 O    3.195000      -2.010800     -0.3446000    
 N   -1.353700     -0.6724000     -0.1930000    
 N    3.379400      0.2959000      0.1066000    
 C  -0.3101000      0.2570000      1.0800000E-02
 C   -2.332900     -0.9133000      0.8469000    
 C   -1.448500      -1.405300      -1.438700    
 C  -0.5944000       1.599200      0.2621000    
 C    1.014300     -0.1777000     -4.1099999E-02
 C   -2.277600      -2.366600       1.286100    
 C   -2.757600      -1.077300      -2.136400    
 C    2.054500      0.7301000      0.1584000    
 C   0.4458000       2.506800      0.4616000    
 C    1.770300       2.072300      0.4096000    
 C    3.856500      -1.000000     -0.1312000    
 C   -2.076700       3.431800      0.5782000    
 C    5.363500      -1.054400     -0.1056000    
 H   -3.343000     -0.6448000      0.5175000    
 H   -2.150000     -0.2848000       1.728900    
 H   -1.357500      -2.483900      -1.276700    
 H  -0.6252000      -1.127300      -2.109800    
 H    1.172900      -1.230500     -0.2301000    
 H   -1.283400      -2.628300       1.662700    
 H   -2.527500      -3.059700      0.4780000    
 H   -2.814300      -1.592900      -3.100600    
 H   -3.633600      -1.375300      -1.554000    
 H   0.3029000       3.563200      0.6613000    
 H    2.571800       2.789800      0.5668000    
 H    4.079500       1.018300      0.2625000    
 H   -4.099700      -2.369200       1.980100    
 H   -2.058000      0.5679000      -2.917000    
 H   -1.659600       4.056500     -0.2190000    
 H   -1.703100       3.712400       1.568900    
 H   -3.157400       3.608300      0.5859000    
 H    5.769400     -0.4187000     -0.8974000    
 H    5.700100      -2.082300     -0.2668000    
 H    5.731000     -0.7095000      0.8650000    


%chk=000090529-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090529

0 1
O -1.966480 2.091160 0.465029
O -3.257166 -2.013679 2.503301
O -2.813470 -0.121104 -2.975421
O 3.133470 -1.925944 -0.800752
N -1.508329 -0.461549 -0.523577
N 3.374661 0.218739 0.128991
C -0.407792 0.325754 -0.068167
C -2.590154 -0.769039 0.449282
C -1.272562 -1.464643 -1.592858
C -0.630192 1.645229 0.452258
C 0.923888 -0.147388 -0.167716
C -2.175082 -1.801458 1.527538
C -2.481365 -1.481471 -2.558483
C 2.019693 0.660239 0.227539
C 0.463315 2.431998 0.873215
C 1.783801 1.949963 0.759667
C 3.867796 -0.990941 -0.357440
C -2.219839 3.458060 0.926451
C 5.390044 -1.120082 -0.321955
H -3.467345 -1.148507 -0.109849
H -2.900540 0.162710 0.947000
H -1.072936 -2.488947 -1.208557
H -0.385000 -1.139375 -2.160668
H 1.131094 -1.152914 -0.536609
H -1.335035 -1.412511 2.125257
H -1.863341 -2.762410 1.065806
H -2.219573 -2.047299 -3.469501
H -3.362761 -1.973948 -2.092014
H 0.300835 3.438710 1.268376
H 2.620850 2.582859 1.079018
H 4.071813 0.887965 0.461602
H -4.034574 -2.418883 2.041749
H -2.610082 0.455971 -2.184706
H -1.689042 4.197957 0.296477
H -1.923160 3.587990 1.985376
H -3.306313 3.597034 0.826372
H 5.758271 -1.293322 -1.347968
H 5.659756 -2.008216 0.275076
H 5.908048 -0.239507 0.096964


