%chk=000101558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101558

0 1
 O   -4.552600       2.093100      -1.595100    
 O   2.8200001E-02  -3.124000      -1.356600    
 O   -2.733000       3.604400     -0.1349000    
 O    4.794200       1.288600     -0.9207000    
 O    2.867400       1.746000       1.029900    
 N   -1.075700      -2.785900      0.6573000    
 C   -2.418700      -2.803100      0.1234000    
 C   -3.361400      -1.916900      0.9524000    
 C   -3.196100     -0.4445000      0.6595000    
 C   -2.932500      -4.238600      7.3899999E-02
 C   4.6799999E-02  -2.950300     -0.1407000    
 C    1.323000      -2.884200      0.6759000    
 C   -3.956500      0.1570000     -0.3433000    
 C   -2.283200      0.3139000       1.392200    
 C    2.245000      -1.771200      0.2532000    
 C   -3.804100       1.517000     -0.6134000    
 C   -2.130500       1.673800       1.121800    
 C   -2.891000       2.275400      0.1191000    
 C    2.132500     -0.5110000      0.8404000    
 C    3.211800      -2.000800     -0.7256000    
 C    2.987000      0.5197000      0.4490000    
 C    3.953800      0.2902000     -0.5300000    
 C    4.066100     -0.9700000      -1.117300    
 C    6.191400       1.068200     -0.7379000    
 C   -5.462400       1.248000      -2.296700    
 C   -1.779000       4.307200      0.6590000    
 C    1.853800       1.897300       2.021900    
 C    6.875800       2.400400     -0.5165000    
 H   -2.380100      -2.432600     -0.9091000    
 H   -4.406000      -2.186700      0.7460000    
 H   -3.222000      -2.096500       2.026900    
 H  -0.9682000      -2.707800       1.664300    
 H   -3.933900      -4.282300     -0.3671000    
 H   -2.273300      -4.872400     -0.5294000    
 H   -2.981300      -4.676200       1.077300    
 H    1.829100      -3.852000      0.5657000    
 H    1.110900      -2.792900       1.748200    
 H   -4.647200     -0.4833000     -0.8815000    
 H   -1.686900     -0.1427000       2.178000    
 H   -1.415300       2.204500       1.739100    
 H    1.360700     -0.3926000       1.593600    
 H    3.307200      -2.977200      -1.193000    
 H    4.808500      -1.161500      -1.887300    
 H    6.596100      0.5866000      -1.634700    
 H    6.377500      0.4194000      0.1270000    
 H   -4.938200      0.4613000      -2.850000    
 H   -6.235900      0.8475000      -1.632500    
 H   -5.973200       1.870800      -3.038600    
 H   -1.781400       5.348100      0.3194000    
 H  -0.7643000       3.924800      0.5037000    
 H   -2.063300       4.317300       1.716700    
 H   0.8584000       1.742100       1.598800    
 H    2.042600       1.260500       2.892700    
 H    1.894100       2.934700       2.370000    
 H    6.703300       3.068700      -1.366600    
 H    6.468500       2.899900      0.3687000    
 H    7.953400       2.269300     -0.3836000    


%chk=000101558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101558

0 1
O -1.257022 2.145004 -0.685291
O 0.167405 -3.802014 -0.580736
O -2.325478 3.377786 1.395834
O 4.255790 1.354698 -1.344469
O 2.472382 2.164042 0.434276
N -1.368730 -2.776542 0.828722
C -2.532796 -3.041853 -0.048191
C -3.724959 -2.140296 0.376112
C -3.380079 -0.678615 0.649914
C -2.927568 -4.534715 -0.033971
C -0.081797 -3.118952 0.461558
C 1.035909 -2.592226 1.385184
C -2.484570 0.037502 -0.191624
C -3.942367 -0.008996 1.756792
C 1.914604 -1.567445 0.672032
C -2.149861 1.381210 0.071466
C -3.628693 1.346095 2.027677
C -2.730342 2.049852 1.200008
C 1.756744 -0.176538 0.920796
C 2.872842 -1.986303 -0.273843
C 2.548119 0.780524 0.245507
C 3.518044 0.342817 -0.714834
C 3.666783 -1.039254 -0.962294
C 5.278255 0.937603 -2.322262
C -0.595952 1.490288 -1.823209
C -2.943714 4.103991 2.507501
C 1.496267 2.669167 1.408459
C 5.927557 2.215957 -2.846229
H -2.217631 -2.789877 -1.081423
H -4.483612 -2.213365 -0.428622
H -4.194281 -2.573872 1.281452
H -1.506510 -2.146410 1.621754
H -3.781582 -4.713738 -0.713672
H -2.077099 -5.149781 -0.369994
H -3.218498 -4.851792 0.984402
H 1.645299 -3.467558 1.675513
H 0.611214 -2.161481 2.310964
H -2.030631 -0.471465 -1.047186
H -4.634137 -0.541844 2.419767
H -4.082203 1.838670 2.892782
H 1.007866 0.157542 1.647317
H 2.982844 -3.052711 -0.493629
H 4.401452 -1.391690 -1.692012
H 4.797832 0.364334 -3.142741
H 6.022520 0.281442 -1.824409
H 0.003751 0.621746 -1.491466
H -1.335723 1.175390 -2.584281
H 0.070365 2.258722 -2.239928
H -2.511713 5.114264 2.461657
H -2.701235 3.637420 3.482879
H -4.043279 4.161275 2.388192
H 0.460416 2.475635 1.075420
H 1.672408 2.235212 2.412810
H 1.670092 3.754935 1.438823
H 5.175583 2.862817 -3.329216
H 6.389636 2.782180 -2.019891
H 6.709983 1.969710 -3.587248


