%chk=000085867.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085867

0 1
 O    3.448500      -1.309000     -0.3417000    
 O   -3.448200      -1.300300      0.3737000    
 N   0.5950000      0.9849000      0.1700000    
 N  -0.5975000      0.9804000     -0.1907000    
 N   0.9638000      -1.226400      -2.323400    
 N  -0.9640000      -1.168200       2.353300    
 C    3.571700     -7.1300000E-02  0.3622000    
 C   -3.571200     -8.0499999E-02 -0.3610000    
 C    2.972900       1.064900     -0.5089000    
 C   -2.972700       1.077000      0.4817000    
 C    1.503300      0.9710000     -0.9813000    
 C   -1.503300      0.9950000      0.9568000    
 C    2.903900     -0.2236000       1.729100    
 C    5.073000      0.1902000      0.5544000    
 C   -5.072500      0.1760000     -0.5599000    
 C   -2.903000     -0.2667000      -1.723500    
 C    1.156400       2.190100      -1.846400    
 C   -1.156600       2.235400       1.791300    
 C    1.206300     -0.2598000      -1.728400    
 C   -1.206300     -0.2166000       1.734300    
 C    4.074500      -2.366900      0.3657000    
 C   -4.073900      -2.375500     -0.3073000    
 H    3.103400       2.013600      3.0800000E-02
 H    3.594600       1.137100      -1.414000    
 H   -3.103200       2.012200     -8.1299998E-02
 H   -3.594700       1.171600       1.384600    
 H    1.961600     -0.7759000       1.658400    
 H    3.529600     -0.7523000       2.456800    
 H    2.698400      0.7583000       2.170500    
 H    5.626800      3.7200000E-02 -0.3794000    
 H    5.244400       1.222200      0.8828000    
 H    5.532800     -0.4465000       1.317900    
 H   -5.532000     -0.4795000      -1.307500    
 H   -5.243900       1.199600     -0.9140000    
 H   -5.626500      4.6200000E-02  0.3771000    
 H   -2.697500      0.7039000      -2.189000    
 H   -3.528500     -0.8134000      -2.437900    
 H   -1.960700     -0.8170000      -1.638700    
 H    1.224600       3.118700      -1.267300    
 H   0.1471000       2.141200      -2.273600    
 H    1.846800       2.275600      -2.694400    
 H   -1.224200       3.149300       1.189200    
 H  -0.1478000       2.197200       2.220900    
 H   -1.847900       2.342200       2.636200    
 H    3.674800      -2.535300       1.367700    
 H    3.853100      -3.282500     -0.1948000    
 H    5.164500      -2.290100      0.3722000    
 H   -3.674000      -2.568700      -1.304800    
 H   -3.852600      -3.276900      0.2758000    
 H   -5.164000      -2.299000     -0.3160000    


%chk=000085867-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085867

0 1
O 3.661857 -0.746039 -1.414318
O -3.655758 -0.713045 1.434223
N 0.573681 1.570108 0.256641
N -0.577616 1.565798 -0.296103
N 1.084446 0.621406 -3.109774
N -1.085203 0.705142 3.094620
C 3.177516 -0.495406 -0.024655
C -3.178373 -0.492771 0.037103
C 2.989140 1.041656 -0.022402
C -2.993289 1.044207 -0.000721
C 1.749408 1.654802 -0.735474
C -1.752487 1.675607 0.694456
C 1.883999 -1.274125 0.294782
C 4.296258 -0.858465 0.981634
C -4.300840 -0.880688 -0.955644
C -1.884213 -1.275191 -0.270662
C 1.979332 3.187419 -0.923925
C -1.982393 3.212579 0.843450
C 1.417900 1.054975 -2.049805
C -1.419399 1.110078 2.023624
C 3.731420 -2.137894 -1.854223
C -3.718185 -2.094705 1.906157
H 2.937307 1.399799 1.022520
H 3.896401 1.466633 -0.488464
H -2.945887 1.378501 -1.053717
H -3.899778 1.478025 0.458672
H 1.145222 -1.177850 -0.519176
H 2.094028 -2.348754 0.440796
H 1.431432 -0.887056 1.225251
H 5.202667 -0.259115 0.784672
H 3.966830 -0.673454 2.020273
H 4.565816 -1.926935 0.902040
H -4.566591 -1.948051 -0.852029
H -3.977112 -0.716557 -1.999579
H -5.208133 -0.280055 -0.766766
H -1.435892 -0.906555 -1.210608
H -2.091920 -2.353174 -0.393398
H -1.143026 -1.159817 0.538593
H 2.175034 3.652769 0.058174
H 1.092288 3.658819 -1.378909
H 2.851185 3.354125 -1.577710
H -2.179997 3.652239 -0.150033
H -1.094672 3.695944 1.284336
H -2.853037 3.396043 1.494342
H 2.730845 -2.609992 -1.907388
H 4.158410 -2.097089 -2.868898
H 4.392380 -2.753529 -1.208938
H -2.715794 -2.562355 1.963580
H -4.138863 -2.032082 2.922348
H -4.381243 -2.726824 1.279234


