%chk=000162719.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162719

0 1
 O   -2.046800      0.3808000       1.054000    
 O  -0.6683000       1.550600     -0.4741000    
 O  -9.2200004E-02  -2.729300     -0.8295000    
 O   -2.855500      -2.200300      -1.446900    
 O   -4.740900      0.8089000      0.9423000    
 O    2.238600     -0.4098000       2.083500    
 O    5.051900      0.3587000      -1.475800    
 N    1.403700     -0.3664000     -5.8200002E-02
 N    3.709100     -1.5600000E-02  0.3361000    
 N    3.884800      0.1354000      -1.136900    
 C   3.8800001E-02 -0.6291000      0.3366000    
 C  -0.7022000      -1.441000     -0.7290000    
 C   -2.172200      -1.622100     -0.3376000    
 C   -2.815400     -0.2840000      4.5499999E-02
 C  -0.7071000      0.6720000      0.6489000    
 C   -4.224000     -0.4650000      0.6046000    
 C    2.437400     -0.2727000      0.8721000    
 C   -1.354600       2.763500     -0.2050000    
 C   -1.267900       3.659500      -1.422200    
 C    4.882700      0.1057000       1.191700    
 H   6.6200003E-02  -1.233100       1.254100    
 H  -0.6207000     -0.9745000      -1.718100    
 H   -2.247400      -2.327000      0.5001000    
 H   -2.891800      0.3662000     -0.8356000    
 H  -0.2129000       1.171800       1.491400    
 H   -4.218600      -1.075400       1.513700    
 H   -4.891600     -0.9286000     -0.1272000    
 H    1.573000     -0.1596000      -1.036000    
 H  -0.1561000      -3.163200      3.8400002E-02
 H   -2.411900      -3.039800      -1.657600    
 H   -2.409500       2.580300      2.1900000E-02
 H  -0.8928000       3.267300      0.6516000    
 H   -4.136600       1.209700       1.590300    
 H   -1.780900       4.609200      -1.246600    
 H  -0.2228000       3.864300      -1.676900    
 H   -1.717800       3.170600      -2.292800    
 H    4.620600     -2.4200000E-02   2.244900    
 H    5.320800       1.099600       1.059900    
 H    5.609200     -0.6639000      0.9141000    


%chk=000162719-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162719

0 1
O -2.382153 0.510869 1.046329
O -0.737765 1.619891 -0.349954
O 0.016532 -2.776118 0.074003
O -2.627747 -2.656752 -0.894867
O -5.068332 0.744241 0.252361
O 2.453732 -1.835404 0.947928
O 4.639984 1.949154 -0.458136
N 1.279355 0.118752 0.425657
N 3.642319 0.063704 0.242191
N 3.525651 1.399953 -0.167616
C -0.059384 -0.374452 0.810957
C -0.610581 -1.469989 -0.142789
C -2.111234 -1.718833 0.099823
C -2.907376 -0.416182 -0.009392
C -0.989961 0.870555 0.874294
C -4.397919 -0.559254 0.295719
C 2.412721 -0.620206 0.566409
C -1.429245 2.934071 -0.411819
C -0.927266 3.651691 -1.661623
C 4.944433 -0.620965 0.316438
H -0.007183 -0.813328 1.826774
H -0.463547 -1.139283 -1.192652
H -2.223155 -2.135988 1.125214
H -2.762179 0.053952 -1.001027
H -0.765344 1.495254 1.762846
H -4.531514 -1.046402 1.284781
H -4.873903 -1.178984 -0.478444
H 1.320951 1.042186 -0.024563
H 0.956180 -2.662628 0.411969
H -1.998650 -3.425553 -0.910789
H -2.521544 2.760212 -0.451553
H -1.194976 3.505217 0.511783
H -4.602157 1.329584 0.903939
H -1.426261 4.632608 -1.760544
H 0.162657 3.818416 -1.611973
H -1.149038 3.058320 -2.565113
H 4.758837 -1.649433 0.655091
H 5.605616 -0.091827 1.023646
H 5.427745 -0.617548 -0.675600


