%chk=000172425.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172425

0 1
 O    3.498800     -5.4699998E-02   1.393500    
 C  -0.4270000     -0.1751000     -0.3867000    
 C   -1.640400      -1.015900      0.2270000    
 C  -0.5916000       1.386800     -0.2028000    
 C   -3.003500     -0.3919000     -0.1788000    
 C   -1.997600       1.875500     -0.5916000    
 C   0.9377000     -0.6329000      0.1850000    
 C   -3.107200       1.101600      0.1032000    
 C  -0.3279000     -0.4240000      -1.925300    
 C   -1.591600      -1.126800       1.770800    
 C   -1.650900      -2.483600     -0.2817000    
 C  -0.1922000       1.973500       1.159600    
 C    2.076700      3.4600001E-02 -0.5685000    
 C    3.434100     -0.3808000      7.7999998E-03
 C    4.582500      0.3139000     -0.7115000    
 H   7.7000000E-02   1.888500     -0.9159000    
 H   -3.821600     -0.9041000      0.3447000    
 H   -3.192500     -0.5577000      -1.246800    
 H   -2.126300       1.781600      -1.677300    
 H   -2.105200       2.944400     -0.3700000    
 H    1.005000     -0.4251000       1.256900    
 H    1.050400      -1.718600      8.3200000E-02
 H   -3.087900       1.290800       1.181600    
 H   -4.077400       1.466700     -0.2546000    
 H   -1.312700     -0.3780000      -2.401200    
 H   0.2721000      0.3283000      -2.448900    
 H   9.0200000E-02  -1.410600      -2.156600    
 H   -1.639800     -0.1627000       2.272800    
 H   -2.443300      -1.708600       2.145200    
 H  -0.6894000      -1.643700       2.113300    
 H  -0.7251000      -3.010200     -3.1599998E-02
 H   -2.474400      -3.048800      0.1722000    
 H   -1.795200      -2.545300      -1.364900    
 H  -0.8520000       1.666500       1.970000    
 H   0.8358000       1.733200       1.440100    
 H  -0.2448000       3.068500       1.118200    
 H    2.098000     -0.2434000      -1.626000    
 H    2.011200       1.124300     -0.5058000    
 H    3.553300      -1.466800     -8.2900003E-02
 H    4.524500       1.400600     -0.5846000    
 H    5.544100     -9.9999997E-05 -0.2914000    
 H    4.580100      8.3899997E-02  -1.781300    
 H    4.361000     -0.3566000       1.726700    


%chk=000172425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172425

0 1
O 3.331526 0.357831 1.442237
C -0.461401 -0.162251 -0.483500
C -1.634580 -1.032708 0.188136
C -0.626516 1.401477 -0.228011
C -3.032799 -0.401395 -0.121271
C -2.067197 1.891809 -0.549905
C 0.930080 -0.647423 0.040104
C -3.138295 1.097071 0.225991
C -0.492509 -0.373420 -2.032738
C -1.477347 -1.168861 1.732792
C -1.665193 -2.485528 -0.374154
C -0.169558 1.959616 1.148595
C 2.166836 -0.003807 -0.631388
C 3.466746 -0.320239 0.127006
C 4.726986 0.167860 -0.608410
H 0.042095 1.884928 -0.972452
H -3.802279 -0.980179 0.429617
H -3.264381 -0.529083 -1.199158
H -2.268917 1.791037 -1.635557
H -2.141580 2.972763 -0.315454
H 1.010818 -0.463460 1.124668
H 1.000246 -1.746363 -0.099935
H -3.013708 1.247659 1.316202
H -4.149313 1.471817 -0.028326
H -1.504066 -0.243405 -2.455303
H 0.168291 0.353813 -2.539286
H -0.142233 -1.385096 -2.305654
H -1.414400 -0.199471 2.251015
H -2.351104 -1.711994 2.142358
H -0.575985 -1.748887 1.999285
H -0.701232 -3.009549 -0.238174
H -2.437072 -3.071009 0.162063
H -1.920766 -2.510192 -1.448025
H -0.846281 1.681684 1.975050
H 0.850185 1.637293 1.421094
H -0.163416 3.065867 1.098119
H 2.274927 -0.356353 -1.675049
H 2.068495 1.098221 -0.664897
H 3.536021 -1.420221 0.292386
H 4.677144 1.260055 -0.769702
H 5.645605 -0.054374 -0.031089
H 4.823933 -0.326586 -1.592902
H 4.157193 0.208256 1.968726


