%chk=000101159.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101159

0 1
 O   -5.097800     -0.1388000     -0.9888000    
 N   -5.119100      0.7171000       1.134700    
 C    1.792700      0.6386000     -0.2746000    
 C   0.4421000     -8.2999999E-03  4.1900001E-02
 C    2.952600     -0.2929000      8.1600003E-02
 C  -0.7171000      0.9119000     -0.3464000    
 C    4.303200      0.3662000     -0.2035000    
 C   -2.092500      0.3242000     -2.1400001E-02
 C    5.464000     -0.5530000      0.1836000    
 C   -3.247600       1.250700     -0.3845000    
 C    6.813700      0.1218000     -7.1000002E-02
 C   -4.534000      0.6099000     -1.4600000E-02
 C   -6.172400     -0.8128000     -0.3437000    
 C    8.010000     -0.7475000      0.3223000    
 C   -6.370000     -3.0800000E-02  0.9436000    
 C   -5.781900      -2.264600     -0.1064000    
 C    9.354100     -9.1600001E-02  4.7200002E-02
 H    1.888600       1.577400      0.2843000    
 H    1.840100      0.8906000      -1.341000    
 H   0.3859000     -0.2378000       1.112800    
 H   0.3505000     -0.9582000     -0.4984000    
 H    2.868200      -1.223300     -0.4929000    
 H    2.893000     -0.5618000       1.143300    
 H  -0.6071000       1.870600      0.1756000    
 H  -0.6646000       1.128200      -1.420700    
 H    4.372500      0.6189000      -1.268500    
 H    4.377600       1.305800      0.3574000    
 H   -2.210100     -0.6310000     -0.5494000    
 H   -2.138000      8.7499999E-02   1.049600    
 H    5.384900     -0.8203000       1.244400    
 H    5.405100      -1.485400     -0.3907000    
 H   -3.246400       1.473700      -1.457000    
 H   -3.161100       2.203000      0.1503000    
 H    6.859400       1.064800      0.4879000    
 H    6.892600      0.3803000      -1.134400    
 H   -7.065900     -0.7657000     -0.9752000    
 H    7.946200     -0.9911000       1.389500    
 H    7.962900      -1.697500     -0.2234000    
 H   -7.194600      0.6843000      0.8417000    
 H   -6.585000     -0.6737000       1.803000    
 H   -4.867400      -2.339300      0.4925000    
 H   -6.581100      -2.810000      0.4044000    
 H   -5.573100      -2.761200      -1.060100    
 H    9.452700      0.8446000      0.6058000    
 H    9.469000      0.1306000      -1.018400    
 H    10.17040     -0.7559000      0.3473000    


%chk=000101159-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101159

0 1
O -4.896046 -0.502791 -0.887428
N -5.551510 1.014426 0.758690
C 1.834982 0.722106 -0.169238
C 0.458365 0.056043 0.053786
C 3.022569 -0.230575 0.095668
C -0.732531 0.997902 -0.233395
C 4.402144 0.433385 -0.114447
C -2.101669 0.323792 0.003282
C 5.586758 -0.527983 0.133129
C -3.286727 1.275833 -0.310824
C 6.968343 0.134494 -0.068348
C -4.627475 0.639958 -0.084339
C -6.234388 -1.030269 -0.417767
C 8.151167 -0.832283 0.169660
C -6.704843 0.066031 0.600631
C -6.030585 -2.420265 0.188402
C 9.527765 -0.161875 -0.030194
H 1.923088 1.611324 0.489606
H 1.894800 1.100574 -1.211309
H 0.393796 -0.308330 1.100420
H 0.377814 -0.842444 -0.593225
H 2.937317 -1.114927 -0.570270
H 2.957316 -0.617476 1.134337
H -0.649639 1.901396 0.406170
H -0.673757 1.352273 -1.284015
H 4.463801 0.831192 -1.149217
H 4.493592 1.309983 0.560719
H -2.188869 -0.582200 -0.626136
H -2.172708 -0.010193 1.057704
H 5.521511 -0.931194 1.165652
H 5.497230 -1.401331 -0.546698
H -3.218620 1.596968 -1.369047
H -3.236205 2.179739 0.320061
H 7.062831 1.003156 0.616692
H 7.033289 0.543684 -1.098531
H -6.870374 -1.075469 -1.318654
H 8.083914 -1.242898 1.197999
H 8.056372 -1.698367 -0.516938
H -7.585311 0.627643 0.239821
H -6.958893 -0.371588 1.583261
H -5.392140 -2.361479 1.088038
H -7.005239 -2.854607 0.480387
H -5.551501 -3.100834 -0.536194
H 9.657279 0.689549 0.664560
H 9.632114 0.228549 -1.060308
H 10.356071 -0.872421 0.147547


