%chk=000159317.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159317

0 1
 O   -4.373900       2.038300     -1.5400000E-02
 O   -5.367600     -0.1554000      9.1000004E-03
 O   0.3388000       2.653800     -6.3800000E-02
 O    4.453700      0.4054000     -9.5100001E-02
 O    2.982500       2.693100     -9.1100000E-02
 O   -1.496800      -3.519900     -1.1600000E-02
 N    1.153900      -3.420200     -4.0800001E-02
 C   0.2591000      0.2049000     -5.1100001E-02
 C    1.037100     -0.9797000     -5.2700002E-02
 C   -1.222900      0.1005000     -3.5500001E-02
 C   -1.840900      -1.181500     -2.1500001E-02
 C    2.450200     -0.9278000     -6.7500003E-02
 C   0.4666000      -2.254000     -3.9700001E-02
 C   0.9464000       1.432200     -6.4300001E-02
 C  -0.9985000      -2.401400     -2.3399999E-02
 C   -2.069600       1.228100     -3.3900000E-02
 C    3.090400      0.3154000     -8.0799997E-02
 C    2.341900       1.486900     -7.9000004E-02
 C   -3.236700      -1.340500     -5.7999999E-03
 C   -3.441000       1.046300     -1.8400000E-02
 C   -4.008200     -0.2018000     -4.6000001E-03
 C    3.185400      -2.119200     -6.8899997E-02
 C    2.497800      -3.321200     -5.5500001E-02
 C   -5.593400       1.268800      3.3000000E-03
 C   6.4400002E-02   3.238300       1.206700    
 C    5.109200      0.4546000       1.168500    
 C    3.272100       3.256200      -1.367200    
 H   -1.757100       2.253200     -0.1122000    
 H   -3.706100      -2.318300      4.9000001E-03
 H    4.270500      -2.133800     -8.6700000E-02
 H    3.031300      -4.266000     -5.7900000E-02
 H   -6.164600       1.537600      0.8992000    
 H   -6.185100       1.527000     -0.8824000    
 H  -0.3398000       2.508800       1.916400    
 H  -0.6638000       4.043000       1.070100    
 H   0.9800000       3.673600       1.619300    
 H    4.849100     -0.4125000       1.783600    
 H    4.849800       1.376900       1.697700    
 H    6.188700      0.4461000      0.9943000    
 H    3.941900       2.602400      -1.934600    
 H    3.771800       4.216400      -1.212200    
 H    2.351100       3.429900      -1.932600    


%chk=000159317-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159317

0 1
O -4.441124 2.058679 -0.205526
O -5.493719 -0.098976 -0.133505
O 0.325624 2.562463 0.220950
O 4.535301 0.066813 -0.016421
O 3.074754 2.577779 0.088884
O -1.727270 -3.659170 0.067205
N 1.044058 -3.593544 -0.057754
C 0.216892 0.104239 0.045345
C 0.987515 -1.123202 -0.000127
C -1.263345 0.030324 -0.007978
C -1.906215 -1.255977 0.001374
C 2.432523 -1.108536 0.021791
C 0.357512 -2.422346 -0.021122
C 0.963090 1.306520 0.143445
C -1.140329 -2.533224 0.022665
C -2.086860 1.203462 -0.094996
C 3.144027 0.143658 0.064395
C 2.405068 1.332295 0.094860
C -3.328112 -1.390569 -0.036044
C -3.465549 1.037760 -0.138028
C -4.084828 -0.232732 -0.101048
C 3.136875 -2.345846 -0.020596
C 2.412712 -3.543384 -0.070008
C -5.747735 1.351980 -0.328813
C 0.516967 3.289343 1.503911
C 5.355129 0.922631 0.874623
C 2.934067 3.329596 -1.186278
H -1.635240 2.191666 -0.140549
H -3.758508 -2.394657 -0.018793
H 4.229033 -2.340148 -0.017557
H 2.922534 -4.511646 -0.112368
H -6.422993 1.709314 0.464667
H -6.147341 1.516383 -1.345821
H 0.074358 2.706837 2.332440
H -0.022436 4.240315 1.379983
H 1.589749 3.472868 1.682508
H 5.131201 0.683886 1.931071
H 5.164991 1.989227 0.681976
H 6.394883 0.652196 0.638179
H 3.371202 2.746827 -2.017647
H 3.498580 4.262658 -1.038573
H 1.870656 3.548739 -1.383820


