%chk=000047536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047536

0 1
 O    3.178500      0.7539000       1.209600    
 O    3.210300      0.7581000      -1.200800    
 N  -0.7351000       1.770700     -2.5000000E-02
 C    3.058200       1.548700      4.0000002E-03
 C    1.672000       2.191900     -1.3200000E-02
 C   0.5758000       1.133500      1.1000000E-02
 C    4.149900       2.617700      2.0400001E-02
 C    3.399700     -0.4869000      0.6929000    
 C    3.417700     -0.4844000     -0.6830000    
 C   -1.797500      0.7747000     -1.3100000E-02
 C   -3.173100       1.440700     -5.9900001E-02
 C    3.589600      -1.643800       1.419600    
 C    3.626600      -1.638900      -1.408600    
 C   -4.283200      0.4206000     -2.5599999E-02
 C    3.803600      -2.827300      0.7091000    
 C    3.822100      -2.824900     -0.6969000    
 C   -4.770100     -9.6199997E-02  -1.216900    
 C   -4.798600      1.5799999E-02   1.196500    
 C   -5.796700      -1.040000      -1.185200    
 C   -5.825200     -0.9281000       1.228000    
 C   -6.324300      -1.455900      3.7099998E-02
 H    1.559400       2.808400     -0.9144000    
 H    1.556900       2.846700      0.8604000    
 H   0.6551000      0.5234000      0.9179000    
 H   0.6731000      0.4723000     -0.8573000    
 H    4.079000       3.245800      0.9145000    
 H    5.142000       2.151700      3.0900000E-02
 H    4.100200       3.250900     -0.8716000    
 H  -0.8385000       2.395400      0.7742000    
 H   -1.691400      0.1057000     -0.8767000    
 H   -1.721400      0.1553000      0.8898000    
 H   -3.267600       2.055600     -0.9649000    
 H   -3.290500       2.134100      0.7837000    
 H    3.574200      -1.641400       2.503500    
 H    3.639800      -1.632500      -2.492500    
 H    3.957200      -3.759300       1.246200    
 H    3.989800      -3.755000      -1.233000    
 H   -4.364400      0.2198000      -2.173700    
 H   -4.415300      0.4194000       2.129400    
 H   -6.184900      -1.451500      -2.112300    
 H   -6.235600      -1.252500       2.179800    
 H   -7.123500      -2.191000      6.1799999E-02


%chk=000047536-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047536

0 1
O 3.272843 0.717452 1.168212
O 3.094237 0.535341 -1.225246
N -0.851572 1.653929 0.168369
C 2.995703 1.524811 -0.084596
C 1.573963 2.083442 -0.019360
C 0.477327 1.006428 0.080082
C 4.100995 2.565153 -0.246168
C 3.737630 -0.542779 0.729932
C 3.632018 -0.650033 -0.675526
C -1.995454 0.718290 0.119585
C -3.337807 1.493020 0.148678
C 4.219426 -1.592841 1.516358
C 4.002943 -1.811942 -1.357782
C -4.536140 0.562693 0.037838
C 4.604422 -2.782653 0.835683
C 4.498423 -2.889845 -0.570593
C -5.053888 0.200831 -1.233026
C -5.134525 -0.000208 1.194701
C -6.137500 -0.699024 -1.346838
C -6.218640 -0.900787 1.087116
C -6.723760 -1.254446 -0.185586
H 1.392661 2.700865 -0.917985
H 1.525380 2.759002 0.858159
H 0.696453 0.331236 0.940880
H 0.496078 0.386467 -0.834872
H 4.079988 3.275822 0.597701
H 5.086858 2.071076 -0.268766
H 3.961355 3.121750 -1.188465
H -0.911700 2.268723 0.994305
H -1.928145 0.143664 -0.824707
H -1.988421 -0.031717 0.949777
H -3.323660 2.221644 -0.682638
H -3.393331 2.074221 1.091587
H 4.293964 -1.500321 2.603163
H 3.913789 -1.884747 -2.444964
H 4.990070 -3.627057 1.416323
H 4.802734 -3.816409 -1.068339
H -4.606285 0.632460 -2.137279
H -4.751521 0.274199 2.185973
H -6.526643 -0.963221 -2.336911
H -6.670436 -1.323009 1.992186
H -7.566032 -1.950280 -0.271263


