%chk=000173742.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173742

0 1
 O   0.9892000      0.8887000      -1.375300    
 O  -0.7058000     -5.7200000E-02 -1.5200000E-02
 O    2.668300      -2.738100     -0.3427000    
 O  -0.1163000      -2.589300      -1.040700    
 O    2.017900       3.320100     -0.7110000    
 O   -1.109800       2.282600       1.443600    
 O   -2.629100      -1.758200       1.145100    
 O   -5.297200      -2.644600       1.210100    
 O    5.682400     -0.4897000     -0.2801000    
 N    3.682800     -0.3008000      0.8964000    
 N   -4.004000      0.5036000      -1.480400    
 N   -3.313800       3.398500     -0.1146000    
 C    2.783600     -0.3359000     -0.2360000    
 C    1.872500      -1.567400     -0.1487000    
 C   0.7984000      -1.515300      -1.234100    
 C    1.964200      0.9629000     -0.3267000    
 C   5.7500001E-02 -0.1807000      -1.213600    
 C   -1.887700      0.7175000     -0.2321000    
 C   -3.006800     -0.2444000     -0.7082000    
 C    2.843500       2.173100     -0.6334000    
 C   -2.236900       1.487700       1.063900    
 C   -3.657500      -1.038700      0.4537000    
 C   -3.451300       2.421800      0.9568000    
 C    5.058600     -0.3812000      0.7724000    
 C   -4.758800      -2.019700      4.7100000E-02
 C    5.755900     -0.2954000       2.103600    
 H    3.383300     -0.4299000      -1.151500    
 H    1.415100      -1.657200      0.8439000    
 H    1.274200      -1.660900      -2.212300    
 H    1.435800       1.154300      0.6164000    
 H  -0.6036000     -0.1661000      -2.088900    
 H   -1.658700       1.462300      -1.007600    
 H   -2.565900     -0.9840000      -1.387100    
 H    3.594000       2.335600      0.1457000    
 H    3.344500       2.056200      -1.600300    
 H   -2.374200      0.7914000       1.897100    
 H    3.274900     -0.2064000       1.822300    
 H   -4.102200     -0.3607000       1.188900    
 H    3.078600      -2.683800      -1.222600    
 H  -0.7703000      -2.549400      -1.759100    
 H   -4.377200       1.859100      0.8152000    
 H   -3.560700       2.973600       1.898200    
 H   -3.545300      0.9984000      -2.244500    
 H   -4.659100     -0.1417000      -1.918500    
 H   -5.579800      -1.516600     -0.4707000    
 H   -4.352200      -2.808300     -0.5943000    
 H   -1.321900       2.712200       2.289800    
 H    2.595000       4.076600     -0.9113000    
 H   -3.052200      -2.241400       1.875300    
 H   -4.097000       4.049600     -8.3800003E-02
 H   -2.472100       3.953700      3.4000002E-02
 H    6.812500     -0.5497000       1.983200    
 H    5.305800     -0.9959000       2.812700    
 H    5.673000      0.7226000       2.493800    
 H   -5.983300      -3.264000      0.9082000    


%chk=000173742-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173742

0 1
O 1.162501 0.990085 -1.476451
O -0.754862 0.024722 -0.427173
O 2.481771 -2.834219 -0.320326
O -0.139197 -2.551744 -1.460312
O 1.564160 3.168000 0.373626
O -1.184341 3.011660 0.262532
O -2.351172 -2.354525 0.059558
O -4.447852 -2.891556 1.533644
O 5.349153 0.867830 -0.028300
N 3.753895 -0.601069 0.810243
N -4.434857 0.510674 -1.042752
N -3.952520 3.160350 -0.039070
C 2.805033 -0.398136 -0.299045
C 1.777247 -1.550424 -0.290109
C 0.813891 -1.455134 -1.494514
C 1.948645 0.898982 -0.213831
C 0.149282 -0.062970 -1.550926
C -1.985801 0.842020 -0.599644
C -3.151373 -0.171740 -0.781095
C 2.642135 2.239490 -0.059854
C -1.973142 1.829161 0.611322
C -3.219888 -1.200056 0.393817
C -3.331009 2.388199 1.070128
C 5.015733 -0.027829 0.810676
C -4.636919 -1.745504 0.608079
C 5.972133 -0.532090 1.886888
H 3.365195 -0.383192 -1.254565
H 1.168367 -1.484410 0.640583
H 1.402657 -1.595915 -2.419795
H 1.243620 0.794262 0.637010
H -0.369823 0.107668 -2.511463
H -1.904333 1.455590 -1.519150
H -2.868116 -0.790910 -1.660046
H 3.428458 2.191820 0.710559
H 3.087597 2.562798 -1.018049
H -1.519200 1.284272 1.466523
H 3.602755 -1.439698 1.376958
H -2.856333 -0.762007 1.346054
H 1.797067 -3.507550 -0.584569
H -0.919630 -2.358690 -0.831299
H -4.007135 1.561479 1.356602
H -3.132432 3.005089 1.972446
H -4.412393 1.545456 -0.887858
H -4.878610 0.235663 -1.921633
H -5.287152 -0.967934 1.043215
H -5.070660 -2.085623 -0.353040
H -0.188904 2.854022 0.244285
H 1.853938 4.105755 0.271590
H -2.670662 -3.108149 0.628582
H -4.784505 3.684432 0.257235
H -3.249363 3.789160 -0.452990
H 6.851864 -0.986583 1.398727
H 5.518173 -1.273889 2.565977
H 6.334794 0.323703 2.481675
H -5.297080 -3.381295 1.651424


