%chk=000118578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118578

0 1
 O    2.516400      -1.396600      0.2360000    
 O   -2.494900      -1.432200      0.2371000    
 O    2.467400       1.428700     -0.2141000    
 O   -2.489100       1.393100     -0.2163000    
 O  -2.1100000E-02   2.815200      0.2046000    
 N   2.0800000E-02  -2.808600     -0.2584000    
 C    1.234900      -3.430900      0.2718000    
 C   -1.184100      -3.447700      0.2728000    
 C    2.466000      -2.723100     -0.2879000    
 C   -2.425400      -2.758000     -0.2867000    
 C    3.627600     -0.6629000     -0.2786000    
 C   -3.618300     -0.7156000     -0.2755000    
 C    3.596200      0.7344000      0.3196000    
 C   -3.606000      0.6827000      0.3213000    
 C    2.370900       2.756800      0.3020000    
 C   -2.412200       2.723800      0.2964000    
 C    1.157300       3.429200     -0.3198000    
 C   -1.206600       3.411600     -0.3243000    
 H    1.269000      -4.487300     -1.6300000E-02
 H    1.241000      -3.362500       1.366000    
 H   -1.190500      -3.378900       1.367000    
 H   -1.203300      -4.504800     -1.4700000E-02
 H    3.367700      -3.263600      2.2000000E-02
 H    2.433300      -2.694800      -1.383800    
 H   -2.393500      -2.729300      -1.382600    
 H   -3.319000      -3.311500      2.3600001E-02
 H   1.3900000E-02  -1.816200     -2.3200000E-02
 H    3.550800     -0.6115000      -1.370500    
 H    4.557100      -1.168800      3.8000001E-03
 H   -4.539300      -1.235000      9.8000001E-03
 H   -3.544900     -0.6643000      -1.367600    
 H    3.502200      0.6808000       1.410100    
 H    4.511700       1.273300      5.2900001E-02
 H   -4.530100       1.207700      5.6699999E-02
 H   -3.508100      0.6316000       1.411500    
 H    3.277500       3.312600      3.9000001E-02
 H    2.266800       2.712500       1.391900    
 H   -2.310000       2.684000       1.386700    
 H   -3.325900       3.266000      2.9899999E-02
 H    1.153500       4.494300     -6.4099997E-02
 H    1.170000       3.310100      -1.409100    
 H   -1.214800       3.289500      -1.413200    
 H   -1.218400       4.477200     -7.1300000E-02


%chk=000118578-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118578

0 1
O 2.555425 -1.467291 0.309742
O -2.534024 -1.504880 0.309501
O 2.574622 1.526178 -0.315957
O -2.596018 1.487855 -0.315065
O -0.021682 3.046993 0.291450
N 0.020754 -2.871642 -0.206338
C 1.261800 -3.505939 0.267892
C -1.211163 -3.524508 0.266542
C 2.488913 -2.800684 -0.306222
C -2.448162 -2.836647 -0.307499
C 3.634853 -0.651341 -0.248209
C -3.625364 -0.704314 -0.247579
C 3.580494 0.729859 0.389351
C -3.590350 0.677292 0.390369
C 2.388456 2.847169 0.287309
C -2.428590 2.811390 0.288184
C 1.192619 3.512821 -0.380241
C -1.242967 3.494238 -0.380211
H 1.273305 -4.561504 -0.074176
H 1.357023 -3.522569 1.383216
H -1.306757 -3.543605 1.381796
H -1.207028 -4.579806 -0.076554
H 3.415417 -3.372881 -0.071418
H 2.387091 -2.707336 -1.408975
H -2.347367 -2.740921 -1.410145
H -3.366336 -3.422410 -0.073424
H 0.013103 -1.860124 -0.011985
H 3.526102 -0.552029 -1.349927
H 4.617928 -1.129303 -0.031126
H -4.601336 -1.196436 -0.030109
H -3.518700 -0.603134 -1.349330
H 3.319384 0.627619 1.464792
H 4.578414 1.220795 0.311145
H -4.595113 1.154180 0.312611
H -3.327532 0.578489 1.465711
H 3.304387 3.464583 0.137969
H 2.193451 2.761742 1.378141
H -2.231623 2.728715 1.378864
H -3.353502 3.415413 0.139477
H 1.273979 4.621248 -0.294528
H 1.178714 3.240790 -1.457694
H -1.225407 3.221530 -1.457439
H -1.340712 4.601405 -0.295409


