%chk=000178301.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178301

0 1
 O    3.822600     -0.8825000      0.4660000    
 O   -2.022200      0.6568000       1.235800    
 O    2.799900      -1.568900      -1.544800    
 O  -6.3000000E-03  0.2351000       2.204900    
 O    5.112400      0.9321000       1.070000    
 O   -6.187600      0.2544000     -0.7178000    
 C  -0.3552000     -0.3116000     -0.1595000    
 C   0.7043000      0.6214000     -0.8507000    
 C   0.1570000      -1.801300     -5.5100001E-02
 C    2.074100      0.3218000     -0.3402000    
 C    2.584200      -1.052700     -0.2356000    
 C    1.589800      -1.910600      0.5356000    
 C   -1.693700     -0.2364000     -0.9133000    
 C   0.4051000       2.144300     -0.7489000    
 C  -0.7348000      0.2062000       1.223800    
 C    2.955500       1.216900      8.7200001E-02
 C   -2.568200      0.6918000     -9.0800002E-02
 C    1.649600       3.020800     -0.9757000    
 C    2.777600       2.682900      1.3800000E-02
 C  -0.7617000      -2.737100      0.7500000    
 C    4.096900      0.4563000      0.5932000    
 C   -4.024300      0.3262000     -0.1213000    
 C    3.294600      -2.899000      -1.502100    
 C   -4.688900     -0.5842000      0.7322000    
 C   -4.976900      0.8100000     -0.9854000    
 C   -6.003800     -0.5928000      0.3287000    
 H   0.7222000      0.3709000      -1.921700    
 H   0.1928000      -2.200100      -1.078900    
 H    1.583400      -1.599700       1.588900    
 H    1.898400      -2.960700      0.5780000    
 H   -2.160600      -1.221000      -1.016600    
 H   -1.590700      0.1321000      -1.940900    
 H   1.2000001E-03   2.404400      0.2357000    
 H  -0.3616000       2.414200      -1.484400    
 H   -2.464700       1.725700     -0.4425000    
 H    1.381300       4.078800     -0.8768000    
 H    2.006300       2.878100      -2.004200    
 H    2.531500       3.071000       1.008700    
 H    3.702900       3.169400     -0.3132000    
 H   -1.781400      -2.760800      0.3588000    
 H  -0.3827000      -3.764700      0.7107000    
 H  -0.8109000      -2.448300       1.804800    
 H    2.477600      -3.614800      -1.374400    
 H    4.064000      -3.042600     -0.7373000    
 H    3.750400      -3.111000      -2.474300    
 H   -4.268000      -1.166000       1.539900    
 H   -4.958200       1.515300      -1.803600    
 H   -6.885400      -1.119100      0.6642000    


%chk=000178301-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178301

0 1
O 3.837058 -0.936029 0.601610
O -2.040455 0.804894 1.180422
O 2.827535 -1.644534 -1.468674
O -0.038882 0.284210 2.206278
O 5.179940 0.901522 1.193279
O -6.358436 0.470575 -0.313847
C -0.389169 -0.324245 -0.207859
C 0.707458 0.595034 -0.908709
C 0.131874 -1.811768 -0.046769
C 2.062420 0.313045 -0.346631
C 2.553681 -1.097307 -0.144871
C 1.524444 -1.905461 0.649192
C -1.731632 -0.243661 -0.990146
C 0.420582 2.126672 -0.829858
C -0.741853 0.260529 1.179835
C 2.974606 1.212967 0.096066
C -2.636130 0.754109 -0.207520
C 1.694143 2.980117 -1.085305
C 2.801940 2.701115 -0.031743
C -0.859855 -2.719512 0.719831
C 4.131357 0.478150 0.681963
C -4.082338 0.382715 -0.110871
C 3.523926 -2.945206 -1.468538
C -4.645857 -0.840805 0.439046
C -5.151791 1.146181 -0.547381
C -6.016345 -0.750197 0.302461
H 0.712345 0.271978 -1.972432
H 0.249412 -2.201578 -1.080029
H 1.464803 -1.497353 1.672484
H 1.827620 -2.965226 0.722379
H -2.223551 -1.228128 -1.035406
H -1.587055 0.099352 -2.028378
H 0.037381 2.382418 0.177261
H -0.363497 2.404152 -1.559590
H -2.537297 1.777939 -0.612059
H 1.422977 4.051992 -1.072797
H 2.092901 2.755743 -2.094472
H 2.527340 3.139091 0.948601
H 3.757346 3.174456 -0.325018
H -1.848868 -2.785735 0.232483
H -0.459407 -3.748038 0.773798
H -1.004281 -2.365171 1.757003
H 2.874596 -3.760490 -1.093023
H 4.445174 -2.888394 -0.863334
H 3.773035 -3.133214 -2.523998
H -4.098319 -1.657987 0.905033
H -5.240604 2.122522 -1.015813
H -6.852473 -1.390438 0.566946


