%chk=000104847.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104847

0 1
 O    5.132700      -1.179000      7.1000002E-02
 O  -0.1394000       1.726500      0.6903000    
 O  -0.5800000       1.934300      -1.570800    
 O   -3.389200       1.999000      -1.154900    
 O   -4.962700      -2.210500      0.3769000    
 C    3.966300      0.7792000     -0.7015000    
 C    3.824600     -0.6344000     -0.1157000    
 C    2.663400       1.585800     -0.7123000    
 C    3.052700      -1.581300      -1.046800    
 C    2.264000       2.088900      0.6810000    
 C    2.729300      -2.941900     -0.4112000    
 C   0.8799000       2.753000      0.6901000    
 C    1.712500      -2.885800      0.7357000    
 C   0.6770000       3.556100       1.970400    
 C   0.3599000      -2.393000      0.3028000    
 C   -1.812500      0.4318000     -0.2056000    
 C   -1.552700     -0.8296000      0.3638000    
 C  -0.7684000       1.438800     -0.4725000    
 C  -0.2095000      -1.270900      0.7704000    
 C   -3.111900      0.7844000     -0.5980000    
 C   -2.636600      -1.704300      0.5592000    
 C   -3.931400      -1.344200      0.1796000    
 C   -4.167800     -0.1028000     -0.4020000    
 H    4.346800      0.7017000      -1.728400    
 H    4.737200       1.330300     -0.1477000    
 H    3.360500     -0.5842000      0.8711000    
 H    2.801100       2.456900      -1.365200    
 H    1.861200      0.9933000      -1.156200    
 H    3.659800      -1.774500      -1.941100    
 H    2.123500      -1.122700      -1.396400    
 H    2.262400       1.256500       1.393100    
 H    3.023400       2.806400       1.015200    
 H    3.652500      -3.406500     -4.4799998E-02
 H    2.342700      -3.605000      -1.196000    
 H   0.7620000       3.426800     -0.1670000    
 H    2.104100      -2.283800       1.562900    
 H    1.585500      -3.899500       1.135800    
 H   0.7608000       2.914600       2.854900    
 H    1.408100       4.366000       2.052800    
 H  -0.3282000       3.991000       1.991300    
 H    5.580100      -1.188300     -0.7924000    
 H  -0.1676000      -3.011000     -0.4206000    
 H   0.3134000     -0.6501000       1.490500    
 H   -2.470900      -2.680300       1.013500    
 H   -5.176100      0.1753000     -0.6986000    
 H   -2.595200       2.554500      -1.196500    
 H   -4.619800      -3.022100      0.7889000    


%chk=000104847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104847

0 1
O 5.260093 -1.255708 0.102967
O 0.163393 1.562548 0.539545
O -1.537811 2.958947 -0.160211
O -3.829107 2.116455 -0.697474
O -4.879385 -2.510862 -0.422979
C 4.050482 0.657358 -0.941789
C 3.919706 -0.690810 -0.192490
C 2.764697 1.523344 -0.914942
C 3.053675 -1.726132 -0.944404
C 2.496329 2.179971 0.460109
C 2.730017 -2.990932 -0.114368
C 1.083673 2.767603 0.591897
C 1.694627 -2.749424 1.024987
C 0.838650 3.524405 1.902459
C 0.331228 -2.338724 0.515280
C -2.021342 0.594428 0.055874
C -1.640040 -0.771754 0.341133
C -1.140487 1.769548 0.136898
C -0.290818 -1.162640 0.821377
C -3.381373 0.851882 -0.395661
C -2.601767 -1.795954 0.184037
C -3.915899 -1.507976 -0.264311
C -4.312723 -0.195093 -0.553384
H 4.335597 0.452363 -1.995605
H 4.889066 1.218268 -0.483370
H 3.510510 -0.513706 0.817579
H 2.843851 2.317903 -1.683124
H 1.890803 0.905281 -1.194153
H 3.594754 -2.016486 -1.870563
H 2.107542 -1.251482 -1.268892
H 2.643054 1.448662 1.278390
H 3.223603 2.997657 0.634796
H 3.667686 -3.378135 0.328650
H 2.338609 -3.779728 -0.788124
H 0.823525 3.403539 -0.274860
H 2.076088 -1.990021 1.733730
H 1.599926 -3.693822 1.601025
H 1.043112 2.876660 2.773566
H 1.510153 4.400811 1.958680
H -0.200742 3.886542 1.957692
H 5.709347 -1.447970 -0.760577
H -0.148054 -3.040118 -0.187078
H 0.240322 -0.437945 1.444400
H -2.331847 -2.821391 0.461898
H -5.326355 0.029500 -0.889649
H -3.040491 2.767221 -0.558469
H -4.508377 -3.398682 -0.191492


