%chk=000057748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057748

0 1
 O    2.791800     -2.8200001E-02 -2.5400000E-02
 O    4.686400       1.802600     -0.9936000    
 O    2.247700      -2.247900     -0.3008000    
 N   -3.450200      0.7231000      6.2100001E-02
 N    6.916200     -0.2230000       1.159500    
 C   -5.892200      0.6318000      0.1144000    
 C   -4.592400     -0.1519000     -4.7200002E-02
 C   -7.132600     -0.2631000      5.2200001E-02
 C    4.997300      0.9283000      9.5100001E-02
 C   -2.136400      0.2846000      7.4999998E-03
 C    4.185100     -0.3550000     -6.4599998E-02
 C    6.509500      0.6917000      0.1013000    
 C   -8.406000      0.5361000      0.2818000    
 C   0.5309000     -0.6056000     -0.1002000    
 C   -1.837200      -1.079800     -0.1627000    
 C   -1.067400       1.192400      0.1223000    
 C  -0.5150000      -1.521200     -0.2161000    
 C   0.2548000      0.7512000      6.8899997E-02
 C    1.909600      -1.065900     -0.1547000    
 H   -5.876300       1.164400       1.074200    
 H   -5.955800       1.401100     -0.6659000    
 H   -4.594300     -0.6502000      -1.024100    
 H   -4.550900     -0.9231000      0.7316000    
 H   -7.184400     -0.7575000     -0.9246000    
 H   -7.061600      -1.050100      0.8119000    
 H   -3.607300       1.718600      0.1757000    
 H    4.693200       1.447200       1.012300    
 H    4.394400      -1.062600      0.7438000    
 H    4.403900     -0.8220000      -1.032200    
 H    7.027700       1.649100      0.2288000    
 H    6.838600      0.3010000     -0.8687000    
 H   -8.521900       1.315700     -0.4780000    
 H   -9.279900     -0.1208000      0.2309000    
 H   -8.397400       1.014100       1.266600    
 H   -2.620200      -1.827200     -0.2588000    
 H   -1.265400       2.253800      0.2550000    
 H  -0.3213000      -2.582400     -0.3486000    
 H    1.036700       1.499500      0.1635000    
 H    6.509700      7.1000002E-02   2.046500    
 H    6.557100      -1.157800      0.9747000    
 H    3.723700       1.940900     -0.9892000    


%chk=000057748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057748

0 1
O 2.856062 0.038495 -0.076137
O 4.843686 1.908409 -0.891887
O 2.274371 -2.207565 -0.319626
N -3.533829 0.722235 0.098782
N 7.153524 -0.238681 1.166245
C -6.010607 0.630984 0.134264
C -4.698599 -0.168046 0.013533
C -7.259474 -0.277442 0.075475
C 5.101733 0.883563 0.132891
C -2.215431 0.300065 0.030055
C 4.285029 -0.376161 -0.151785
C 6.630105 0.613925 0.094780
C -8.577860 0.517199 0.186968
C 0.520552 -0.525942 -0.104038
C -1.876824 -1.078983 -0.150325
C -1.152094 1.253585 0.142372
C -0.533035 -1.473501 -0.214822
C 0.185476 0.846559 0.077147
C 1.911812 -1.010174 -0.180932
H -6.012493 1.193684 1.090730
H -6.063062 1.379629 -0.682863
H -4.688755 -0.718172 -0.951730
H -4.655209 -0.930747 0.820524
H -7.250549 -0.850317 -0.873670
H -7.206346 -1.024176 0.893136
H -3.713159 1.718114 0.229632
H 4.821276 1.269401 1.138453
H 4.471875 -1.174596 0.588959
H 4.486772 -0.765637 -1.167006
H 7.131476 1.597985 0.129566
H 6.887272 0.167758 -0.884455
H -8.672380 1.249379 -0.636819
H -9.455031 -0.153309 0.144003
H -8.626551 1.075562 1.140653
H -2.665149 -1.831890 -0.239473
H -1.394526 2.314400 0.283966
H -0.269367 -2.527619 -0.353449
H 0.987656 1.583861 0.171703
H 7.127939 0.145077 2.111500
H 6.941035 -1.235181 1.114173
H 3.860880 1.981168 -1.005291


