%chk=000162936.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162936

0 1
 O   0.1795000      -2.499800      5.6800000E-02
 O   -5.050200     -0.6121000     -0.4128000    
 O    4.506500     -0.5299000     -0.1660000    
 C   -1.062700      0.3050000      0.1688000    
 C  -0.9042000       1.766200      0.6825000    
 C   -1.698700      0.2394000      -1.238000    
 C   -1.884600     -0.5539000       1.149100    
 C   0.3960000     -0.1006000      9.6600004E-02
 C   0.4324000       2.290300      0.1392000    
 C    1.229700       1.027000      8.4500000E-02
 C   -3.175500      0.6225000      -1.250700    
 C   -3.348000     -0.1325000       1.203500    
 C   -3.943500     -0.1250000     -0.1852000    
 C   0.9394000      -1.375300      1.5100000E-02
 C    2.606500      0.9047000     -1.4900000E-02
 C    2.327500      -1.508300     -7.2200000E-02
 C    3.155100     -0.3763000     -8.7499999E-02
 C    5.294800      0.6587000     -0.1689000    
 H  -0.8528000       1.770200       1.781300    
 H   -1.733100       2.425300      0.4079000    
 H   -1.605700     -0.7845000      -1.626800    
 H   -1.158300      0.8801000      -1.946300    
 H   -1.453900     -0.5155000       2.157600    
 H   -1.866300      -1.606600      0.8467000    
 H   0.8706000       3.033700      0.8109000    
 H   0.3188000       2.712000     -0.8646000    
 H   -3.605900      0.3847000      -2.229700    
 H   -3.311500       1.694900      -1.080000    
 H   -3.462000      0.8677000       1.633900    
 H   -3.911200     -0.8346000       1.827800    
 H    3.186700       1.819500     -3.0500000E-02
 H    2.781300      -2.495700     -0.1251000    
 H   0.7557000      -3.280700     -5.7000001E-03
 H    6.343600      0.3508000     -0.2326000    
 H    5.182800       1.218900      0.7656000    
 H    5.089300       1.275900      -1.050200    


%chk=000162936-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162936

0 1
O 0.120004 -2.444784 -0.139268
O -5.103254 -0.832322 -0.372850
O 4.582766 -0.586172 -0.180656
C -1.092285 0.341065 0.185412
C -0.997915 1.848795 0.631127
C -1.740778 0.179284 -1.228648
C -1.896934 -0.511115 1.208380
C 0.389532 -0.048121 0.110203
C 0.411927 2.355176 0.206986
C 1.239296 1.080159 0.133679
C -3.259011 0.510963 -1.254343
C -3.402550 -0.127748 1.239635
C -4.028372 -0.212294 -0.150149
C 0.976281 -1.326176 -0.052636
C 2.644158 0.976108 0.040133
C 2.377257 -1.466095 -0.138970
C 3.206252 -0.318084 -0.087658
C 5.494793 0.558581 -0.148848
H -1.084864 1.898586 1.733745
H -1.806616 2.471758 0.209838
H -1.593583 -0.867455 -1.556006
H -1.211848 0.822740 -1.958010
H -1.463545 -0.382962 2.218761
H -1.796573 -1.579524 0.946992
H 0.824077 3.098496 0.913878
H 0.381660 2.843039 -0.788316
H -3.707467 0.255009 -2.230067
H -3.401507 1.601207 -1.100806
H -3.508252 0.917395 1.599646
H -3.969345 -0.778475 1.927785
H 3.267423 1.874380 0.064611
H 2.853918 -2.447235 -0.249954
H 0.643191 -3.275122 -0.264348
H 6.502474 0.126132 -0.235729
H 5.408576 1.115773 0.804283
H 5.309212 1.245237 -0.997731


