%chk=000060557.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060557

0 1
 O   -10.33260      0.1811000      0.3250000    
 O   0.7632000       1.829600     -0.8456000    
 N   -3.870600     -0.3294000     -0.3480000    
 N   -6.649900      5.2099999E-02  0.3506000    
 C    6.564300     -0.7726000      0.4063000    
 C    7.287900      7.6200001E-02   1.472300    
 C    7.416900     -0.6534000     -0.8696000    
 C    8.428800      0.7749000      0.7415000    
 C    8.779400     -0.1853000     -0.3813000    
 C    5.119300     -0.3909000      0.1752000    
 C   -4.265200      0.5550000      0.7553000    
 C   -4.854400      -1.405400     -0.5194000    
 C   -5.666600       1.128900      0.5202000    
 C   -6.256100     -0.8319000     -0.7534000    
 C   -2.535100     -0.8783000     -0.1211000    
 C   -1.469700      0.1685000     -0.4528000    
 C   -7.986100      0.6000000      0.1255000    
 C    4.107900      -1.326600      0.3930000    
 C    4.797900      0.8958000     -0.2571000    
 C  -4.8999999E-02 -0.3592000     -0.2339000    
 C    2.453700      0.3114000     -0.2533000    
 C    2.775200     -0.9754000      0.1788000    
 C    3.465100       1.246900     -0.4713000    
 C    1.029000      0.6865000     -0.4819000    
 C   -9.053300     -0.3984000      0.5447000    
 H    6.602900      -1.818100      0.7424000    
 H    7.705700     -0.5904000       2.237600    
 H    6.641300      0.7923000       1.989700    
 H    7.015700      7.7699997E-02  -1.580900    
 H    7.484900      -1.609600      -1.399500    
 H    9.279600      0.9760000       1.398800    
 H    8.083500       1.730100      0.3290000    
 H    9.362500      0.2936000      -1.173000    
 H    9.356200      -1.032900      7.1000000E-03
 H   -3.579600       1.403700      0.8458000    
 H   -4.246500      1.8600000E-02   1.714000    
 H   -4.866100      -2.067500      0.3572000    
 H   -4.587900      -2.018600      -1.389000    
 H   -5.655200       1.789800     -0.3572000    
 H   -5.932900       1.742700       1.389300    
 H   -6.950000      -1.675200     -0.8398000    
 H   -6.275400     -0.2953000      -1.712000    
 H   -2.364200      -1.733900     -0.7877000    
 H   -2.416700      -1.251300      0.9043000    
 H   -1.595800       1.064400      0.1652000    
 H   -1.578200      0.4930000      -1.496000    
 H   -8.136800      0.9269000     -0.9119000    
 H   -8.139700       1.501200      0.7352000    
 H    4.342500      -2.333100      0.7289000    
 H    5.570100       1.640900     -0.4271000    
 H   3.5000000E-02 -0.7005000      0.8043000    
 H   0.1223000      -1.203800     -0.9108000    
 H    2.023000      -1.736400      0.3590000    
 H    3.239900       2.255700     -0.8068000    
 H   -9.003000      -1.322500     -3.8199998E-02
 H   -8.964400     -0.6461000       1.607900    
 H   -10.99450     -0.4727000      0.6076000    


%chk=000060557-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060557

0 1
O -10.547081 -0.036307 0.009321
O 0.687100 2.059766 -0.147281
N -3.950956 -0.366522 -0.212146
N -6.809955 0.053275 0.143671
C 6.691505 -0.655568 0.129146
C 7.498085 -0.008500 1.308790
C 7.511088 -0.242123 -1.130619
C 8.969786 0.154125 0.797387
C 8.975914 -0.398045 -0.660227
C 5.218265 -0.282131 0.088407
C -4.472916 0.783993 0.568345
C -4.899698 -1.505190 -0.133722
C -5.864621 1.194689 0.060228
C -6.287536 -1.089950 -0.645844
C -2.578153 -0.770702 0.175776
C -1.518425 0.311025 -0.113683
C -8.199217 0.423051 -0.217844
C 4.211065 -1.277825 0.171670
C 4.804375 1.074736 -0.035145
C -0.091825 -0.242872 0.054944
C 2.436560 0.413743 0.006448
C 2.842006 -0.941332 0.132419
C 3.442788 1.416421 -0.076177
C 0.995480 0.834911 -0.040416
C -9.222546 -0.488710 0.472679
H 6.768297 -1.757701 0.224049
H 7.432896 -0.633356 2.217175
H 7.063841 0.973947 1.568245
H 7.299023 0.814163 -1.387685
H 7.262158 -0.855955 -2.014614
H 9.694216 -0.378586 1.438539
H 9.257733 1.221447 0.802888
H 9.695813 0.127764 -1.312424
H 9.252441 -1.470260 -0.660737
H -3.786642 1.641228 0.456237
H -4.544336 0.534089 1.658516
H -5.003672 -1.882908 0.916084
H -4.510599 -2.331817 -0.758321
H -5.763492 1.570918 -0.988987
H -6.251157 2.020514 0.685878
H -6.980252 -1.946293 -0.553246
H -6.206854 -0.827815 -1.731535
H -2.332830 -1.681944 -0.407051
H -2.523308 -1.058368 1.261214
H -1.639964 1.181849 0.554482
H -1.658356 0.686142 -1.144036
H -8.377322 0.396274 -1.320014
H -8.389366 1.459495 0.115401
H 4.508376 -2.329263 0.268658
H 5.559216 1.867875 -0.098513
H 0.010667 -0.748360 1.039700
H 0.109011 -1.025621 -0.704889
H 2.095062 -1.739174 0.202085
H 3.119045 2.458320 -0.172776
H -9.053129 -1.551129 0.196450
H -9.117957 -0.388583 1.572253
H -11.251447 -0.562048 0.463947


