%chk=000097134.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097134

0 1
 O   -3.225100       1.596900       1.855000    
 O   -3.806800      -2.511900     -0.3415000    
 N  -0.8009000       1.920200      0.1447000    
 N   -1.981400      -1.196100     -0.9346000    
 N  -0.1537000      0.3987000      -1.350700    
 N   -3.540300     -0.4673000      0.7698000    
 C    2.499700       2.173000     -0.2888000    
 C    3.078300      0.7706000     -0.5017000    
 C    1.254500       2.449000      -1.139000    
 C    4.298900      0.5339000      0.3905000    
 C    4.859000     -0.8772000      0.2038000    
 C   9.2200004E-02   1.548000     -0.8021000    
 C   -1.713500      0.9068000      0.2112000    
 C   -1.294000     -1.0600000E-02 -0.7132000    
 C    6.057500      -1.125100       1.119400    
 C   -2.871400      0.7578000       1.031800    
 C   -3.153300      -1.473700     -0.1873000    
 C    6.638300      -2.514900      0.9132000    
 C   -1.494500      -2.142800      -1.930500    
 C   -4.743600     -0.7353000       1.550000    
 H    2.254000       2.308800      0.7721000    
 H    3.264400       2.919100     -0.5368000    
 H    3.357400      0.6436000      -1.554500    
 H    2.324400      9.8000001E-03 -0.2711000    
 H    1.498800       2.325100      -2.201100    
 H   0.9544000       3.496000      -1.007600    
 H    5.074900       1.272700      0.1563000    
 H    4.019000      0.6801000       1.440900    
 H    4.077000      -1.616200      0.4172000    
 H    5.158500      -1.016600     -0.8421000    
 H  -0.7982000       2.770100      0.6942000    
 H    5.755500      -1.012200       2.167200    
 H    6.836300     -0.3787000      0.9239000    
 H    6.981400      -2.647800     -0.1179000    
 H    5.893500      -3.287300       1.130100    
 H    7.493400      -2.670900       1.578400    
 H   -1.476400      -1.652100      -2.908500    
 H   -2.134700      -3.026400      -1.991100    
 H  -0.4828000      -2.457800      -1.656800    
 H   -5.583900     -0.8686000      0.8612000    
 H   -4.978700      6.5499999E-02   2.254600    
 H   -4.601700      -1.670800       2.100600    


%chk=000097134-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097134

0 1
O -2.460902 0.851802 2.459657
O -4.330410 -2.187894 -0.636401
N -0.437872 1.527080 0.197146
N -2.473073 -0.937780 -1.343363
N -0.512029 0.507511 -1.832021
N -3.385070 -0.672968 0.883366
C 2.552648 2.133129 -0.565990
C 3.135993 0.705269 -0.484376
C 1.318672 2.245714 -1.504082
C 4.371806 0.612842 0.438282
C 4.967565 -0.810970 0.518340
C 0.139038 1.428914 -1.063448
C -1.509686 0.629781 0.247789
C -1.528504 0.022575 -1.015317
C 6.203540 -0.904859 1.441949
C -2.438448 0.329685 1.301866
C -3.446716 -1.319155 -0.386685
C 6.793481 -2.329870 1.514045
C -2.476238 -1.563232 -2.679752
C -4.416528 -1.094879 1.858706
H 2.289870 2.485464 0.453941
H 3.330866 2.828671 -0.937487
H 3.410063 0.365819 -1.504424
H 2.355360 0.003597 -0.125672
H 1.583414 1.899021 -2.517901
H 1.021537 3.310318 -1.593917
H 5.152418 1.316192 0.079076
H 4.094576 0.951253 1.458942
H 4.188893 -1.515733 0.877967
H 5.246934 -1.151245 -0.500758
H -0.149910 2.131322 0.966371
H 5.923281 -0.566718 2.460543
H 6.981042 -0.199476 1.083296
H 7.110652 -2.678544 0.512993
H 6.045673 -3.049568 1.897396
H 7.674495 -2.371201 2.180609
H -2.604782 -0.792134 -3.457666
H -3.311397 -2.277833 -2.709825
H -1.520931 -2.085539 -2.855921
H -5.422833 -0.896433 1.455190
H -4.248816 -0.518638 2.780451
H -4.331272 -2.175889 2.056286


