%chk=000176644.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176644

0 1
 O   -1.411900     -0.5031000      0.2060000    
 O   -3.253900      0.4189000     -0.8898000    
 O    1.277200      -1.218100      0.1349000    
 O    2.814400      0.3645000      0.9354000    
 O  -0.6443000      -3.899300       1.342100    
 O   -2.584000      -4.319000     -0.7596000    
 O   -4.528700      -2.106700     -0.8254000    
 O    2.762800      8.7000001E-03  -1.868700    
 O    5.491000     -0.5256000      -2.095100    
 O    6.393400      0.8634000      0.2720000    
 O   -1.153500       4.198000      0.5642000    
 N   -4.272800       1.915000       1.981700    
 C  -0.9084000      -1.516800       1.077800    
 C   -1.072900      -2.892900      0.4285000    
 C   -2.532700      -3.142900      4.9500000E-02
 C   -3.111800      -1.962700     -0.7308000    
 C   -2.810800     -0.6350000     -3.5399999E-02
 C    2.656100     -0.9244000      0.3379000    
 C    3.369900     -0.9644000      -1.012900    
 C   0.5564000      -1.196200       1.358200    
 C    4.850000     -0.6308000     -0.8269000    
 C    5.020100      0.6868000     -6.6200003E-02
 C    4.182300      0.6755000       1.220100    
 C   -3.007400       1.691700     -0.3100000    
 C   -1.490400       1.908500     -0.1677000    
 C   -1.233100       3.363300     -0.5800000    
 C    4.208900       2.031400       1.918300    
 C   -3.408700       2.790800      -1.243700    
 C   -2.443100       3.705200      -1.384200    
 C   -3.714100       1.816400      0.9696000    
 H   -1.447900      -1.475000       2.033300    
 H  -0.4614000      -2.983600     -0.4783000    
 H   -3.139800      -3.350900      0.9392000    
 H   -2.719500      -1.962900      -1.755300    
 H   -3.362800     -0.6091000      0.9126000    
 H    3.078600      -1.688700       1.004000    
 H    3.242900      -1.932600      -1.507800    
 H   0.9894000      -1.908300       2.069100    
 H   0.6114000     -0.1913000       1.793400    
 H    5.345200      -1.446100     -0.2851000    
 H    4.738100       1.527900     -0.7103000    
 H    4.574300     -6.8300001E-02   1.926400    
 H  -0.9288000       1.310800     -0.8993000    
 H   -1.106100       1.728900      0.8438000    
 H  -0.3092000       3.462200      -1.157200    
 H    3.794300       2.812200       1.271000    
 H    5.224200       2.317300       2.208300    
 H    3.584800       2.007400       2.818400    
 H   -4.373500       2.853300      -1.728100    
 H   0.3266000      -3.873500       1.378600    
 H   -2.197000      -5.045700     -0.2418000    
 H   -4.867800      -1.335400      -1.311300    
 H   -2.532900       4.596100      -1.988900    
 H    2.681400      0.8423000      -1.375500    
 H    6.421300     -0.2932000      -1.932700    
 H    6.660100      0.1231000      0.8434000    
 H   -1.977800       4.109700       1.072100    


%chk=000176644-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176644

0 1
O -1.479038 0.212427 0.112445
O -3.691567 0.784708 -0.491536
O 1.778122 -1.223842 0.965926
O 3.487142 -0.180596 -0.278148
O 0.305098 -3.078578 -0.438008
O -1.633548 -3.049343 -2.511813
O -4.136071 -1.836145 -1.589659
O 3.733946 -2.989995 0.105565
O 6.351096 -2.723010 1.482020
O 7.262321 -0.311803 0.118123
O -3.628733 5.004532 1.873869
N -4.354091 0.531574 2.945465
C -0.545188 -0.886243 0.452958
C -0.422200 -1.848226 -0.755905
C -1.800903 -2.357476 -1.236711
C -2.816607 -1.228043 -1.431711
C -2.821166 -0.322220 -0.180989
C 3.133178 -0.802593 1.031945
C 4.011168 -2.063017 1.200654
C 0.766412 -0.161688 0.779918
C 5.480288 -1.581924 1.265694
C 5.870997 -0.794575 -0.004198
C 4.874818 0.364425 -0.278722
C -3.971628 1.766336 0.599231
C -2.873249 2.882785 0.685817
C -3.619479 4.246889 0.601874
C 5.087683 1.040121 -1.630499
C -5.231950 2.527401 0.192890
C -5.026951 3.867657 0.166587
C -4.181129 1.064186 1.891285
H -0.914183 -1.451067 1.336556
H 0.067604 -1.299885 -1.590745
H -2.188681 -3.053043 -0.460271
H -2.535795 -0.613329 -2.311658
H -3.189403 -0.887200 0.706441
H 3.298282 -0.047543 1.836487
H 3.757394 -2.614423 2.120311
H 0.670527 0.434757 1.708042
H 1.056173 0.491651 -0.062392
H 5.554505 -0.874321 2.132607
H 5.914539 -1.476670 -0.871123
H 4.960300 1.108842 0.550247
H -2.214801 2.734902 -0.184575
H -2.255369 2.817242 1.594610
H -3.126222 4.949424 -0.088741
H 4.869870 0.331795 -2.448851
H 6.136743 1.369504 -1.725299
H 4.424158 1.913891 -1.741148
H -6.160373 1.993183 -0.022641
H 1.191978 -2.845806 -0.044480
H -0.953949 -3.756698 -2.356095
H -4.778240 -1.113332 -1.807731
H -5.778549 4.622787 -0.079537
H 3.687401 -2.458999 -0.735189
H 7.274512 -2.446616 1.240028
H 7.310873 0.355973 0.852384
H -4.139963 4.488055 2.550194


