%chk=000158994.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158994

0 1
 O    1.842700       1.461000       1.596600    
 O   -5.329800       1.188700      -1.866000    
 O   0.8826000       1.348100     -0.5318000    
 O    6.260700      -2.903000     -0.3949000    
 N   -2.447500       1.275700      0.2730000    
 N    6.510800     -0.5681000     -0.6055000    
 C   -1.554900       2.301200      0.4458000    
 C   -3.370900       1.680100     -0.6152000    
 C  -0.4100000       2.174000       1.366400    
 C   -1.951900       3.346300     -0.3588000    
 C   -3.124600       2.934800      -1.039000    
 C   -4.490600      0.8092000      -1.032100    
 C   -4.639800     -0.5333000     -0.4928000    
 C   0.8194000       1.613700      0.6610000    
 C   -4.035900      -1.614000      -1.135700    
 C   -5.386600     -0.7402000      0.6667000    
 C   -4.926100      -3.108600      0.5409000    
 C   -4.179100      -2.901700     -0.6189000    
 C   -5.529800      -2.027700       1.183700    
 C    3.017900      0.9498000       1.040800    
 C    5.336500     -5.7999998E-02 -5.0999999E-02
 C   -5.078600      -4.485200       1.094200    
 C    3.195400     -0.4157000       1.009100    
 C    3.954600       1.831200      0.5479000    
 C    4.369800     -0.9261000      0.4562000    
 C    5.128900       1.320600     -5.1000002E-03
 C    6.892700      -1.909600     -0.7397000    
 C    8.244100      -2.043300      -1.395600    
 H   -2.402000      0.3797000      0.7403000    
 H  -0.1476000       3.156700       1.774300    
 H  -0.6616000       1.508200       2.199900    
 H   -1.452500       4.301200     -0.4478000    
 H   -3.697000       3.514700      -1.749500    
 H   -3.451800      -1.464500      -2.040200    
 H   -5.861900      9.4499998E-02   1.175600    
 H   -3.705200      -3.735700      -1.129600    
 H   -6.115500      -2.176300       2.087000    
 H   -5.963800      -4.966100      0.6662000    
 H   -5.183400      -4.463600       2.184300    
 H   -4.201200      -5.101100      0.8691000    
 H    2.442500      -1.090100       1.405200    
 H    3.793300       2.903900      0.5847000    
 H    4.459300      -2.003400      0.4565000    
 H    5.873700       2.009000     -0.3966000    
 H    7.165500      0.1296000     -0.9532000    
 H    8.997400      -1.514500     -0.8050000    
 H    8.521900      -3.099000      -1.460500    
 H    8.208300      -1.622300      -2.404300    


%chk=000158994-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158994

0 1
O 1.836309 1.780837 0.799051
O -6.165526 1.638023 0.268214
O -0.058833 0.411366 0.578778
O 8.039305 -0.314458 0.013846
N -2.514037 1.731203 0.692452
N 6.174920 -1.712065 -0.280450
C -1.722566 2.850426 0.890100
C -3.837273 2.120116 0.416476
C -0.265621 2.782748 1.271644
C -2.545250 3.990057 0.742241
C -3.864435 3.533522 0.457680
C -4.965731 1.204907 0.196899
C -4.713257 -0.252010 -0.097409
C 0.468117 1.521778 0.831219
C -3.603410 -0.715027 -0.852273
C -5.678097 -1.198412 0.341550
C -4.405016 -3.040327 -0.683618
C -3.458660 -2.090009 -1.141956
C -5.519862 -2.567632 0.062712
C 2.862228 0.817961 0.512417
C 5.097261 -0.823866 -0.005070
C -4.252352 -4.518266 -0.995348
C 4.165138 1.351225 0.599396
C 2.651483 -0.536732 0.166332
C 5.286904 0.541983 0.344118
C 3.778321 -1.343242 -0.088419
C 7.548811 -1.447557 -0.264453
C 8.430880 -2.644490 -0.612102
H -2.145325 0.776594 0.721241
H 0.272088 3.662283 0.880129
H -0.149849 2.834010 2.376619
H -2.214621 5.023919 0.835004
H -4.758381 4.130358 0.289407
H -2.877271 -0.003737 -1.261770
H -6.549071 -0.830070 0.893839
H -2.603210 -2.427114 -1.739465
H -6.269031 -3.284621 0.420763
H -5.056855 -4.867916 -1.670230
H -4.312485 -5.130975 -0.076721
H -3.287210 -4.732725 -1.485185
H 4.290186 2.404058 0.869004
H 1.644960 -0.948809 0.098521
H 6.299091 0.943239 0.409562
H 3.620933 -2.395705 -0.356899
H 5.903428 -2.667846 -0.520855
H 7.870153 -3.567873 -0.839421
H 9.057377 -2.385746 -1.482938
H 9.113739 -2.842585 0.231970


