%chk=000017964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017964

1 1
 O  -0.6006000      0.1368000      0.9469000    
 O   -2.651500      -1.557700      0.3732000    
 O   -5.199100     -0.4556000     -0.4053000    
 N    2.783800     -0.3559000     -0.5785000    
 C    3.820500      -1.477600     -0.4288000    
 C    3.270300       1.038900     -0.1626000    
 C    1.545000     -0.6950000      0.2640000    
 C    4.663600      -1.374600      0.8379000    
 C    4.703200       1.345300     -0.5863000    
 C    5.937900     -0.5588000      0.6273000    
 C    5.725800      0.9415000      0.4740000    
 C    2.335400     -0.3192000      -2.047100    
 C   0.5335000      0.4275000      0.1409000    
 C   -1.799100      0.6373000      0.5268000    
 C   -2.869800     -0.2109000      0.2432000    
 C   -1.953000       2.017300      0.3929000    
 C   -4.101400      0.3225000     -0.1448000    
 C   -3.175100       2.548400     -2.0800000E-02
 C   -3.675500      -2.327800     -0.2624000    
 C   -4.250300       1.701800     -0.2915000    
 C   -5.043500      -1.784100      0.1011000    
 H    4.457700      -1.472300      -1.320800    
 H    3.261400      -2.421100     -0.4371000    
 H    3.160600       1.130500      0.9246000    
 H    2.617100       1.775000     -0.6446000    
 H    1.131100      -1.648400     -8.6099997E-02
 H    1.858800     -0.8271000       1.305400    
 H    4.977800      -2.391800       1.105500    
 H    4.095600     -0.9965000       1.693800    
 H    4.785300       2.433300     -0.7076000    
 H    4.954100      0.9106000      -1.559400    
 H    6.602900     -0.7229000       1.484600    
 H    6.476300     -0.9398000     -0.2497000    
 H    6.690800       1.397600      0.2197000    
 H    5.436400       1.367100       1.443100    
 H    1.797000      -1.244700      -2.272300    
 H    1.715800      0.5588000      -2.240200    
 H    3.228700     -0.2502000      -2.675600    
 H   0.9181000       1.381300      0.5098000    
 H   0.2014000      0.5565000     -0.8934000    
 H   -1.133000       2.694300      0.6166000    
 H   -3.291900       3.623400     -0.1249000    
 H   -3.574400      -3.362400      7.9700001E-02
 H   -3.507200      -2.307400      -1.346300    
 H   -5.201200       2.124500     -0.6041000    
 H   -5.829000      -2.403600     -0.3428000    
 H   -5.195100      -1.764800       1.187500    


%chk=000017964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017964

1 1
O -0.472160 1.325529 1.116674
O -1.681593 -0.876795 -0.244158
O -4.605137 -0.953294 -0.396035
N 2.510772 -0.301902 -0.599971
C 3.297218 -1.505872 -0.002418
C 3.377902 0.978121 -0.739465
C 1.310501 -0.016264 0.333521
C 4.270261 -1.184692 1.148952
C 4.833990 0.765757 -1.200776
C 5.700336 -0.827563 0.674592
C 5.832727 0.534285 -0.040603
C 2.000671 -0.727017 -1.973819
C 0.419278 1.181265 -0.046416
C -1.878375 1.280937 0.893313
C -2.501815 0.171982 0.265030
C -2.648139 2.341788 1.407021
C -3.920399 0.139563 0.178288
C -4.056511 2.304905 1.289061
C -2.425813 -1.824302 -1.117506
C -4.694157 1.208099 0.676073
C -3.776487 -2.171337 -0.488483
H 3.850210 -1.962791 -0.841344
H 2.514685 -2.216435 0.315590
H 3.365333 1.469070 0.248497
H 2.828554 1.622112 -1.446581
H 0.676959 -0.918473 0.353249
H 1.722733 0.158384 1.341332
H 4.325677 -2.098722 1.769945
H 3.865067 -0.402051 1.820121
H 5.126273 1.690787 -1.732977
H 4.909981 -0.041188 -1.956730
H 6.375834 -0.835262 1.549818
H 6.057937 -1.635627 0.004659
H 6.861244 0.627986 -0.435346
H 5.710827 1.355333 0.694369
H 1.445964 -1.672151 -1.870405
H 1.335396 0.049167 -2.378493
H 2.858248 -0.867352 -2.648765
H 0.984501 2.126276 -0.139353
H -0.159879 0.998381 -0.967086
H -2.133796 3.173494 1.896080
H -4.656122 3.130250 1.683285
H -1.780083 -2.712967 -1.207216
H -2.575423 -1.357319 -2.109608
H -5.782446 1.149999 0.586751
H -4.345722 -2.871660 -1.119075
H -3.639825 -2.602433 0.521910


