%chk=000186620.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186620

0 1
O -6.704305 -0.180174 0.303588
N -0.237717 -0.669768 0.152643
C 3.434442 -0.012572 -0.002456
C 3.367090 1.409013 -0.263610
C 4.781519 1.924581 -0.374392
C 5.708446 0.685087 -0.155767
C 4.779130 -0.481041 0.069283
C 2.326644 -0.854708 0.164617
C 1.069973 -0.175857 0.053065
C 0.986296 1.231194 -0.203629
C 2.162324 2.035945 -0.365461
C 5.014533 -1.813548 0.312306
C 2.589660 -2.230593 0.415619
C -0.401461 1.569845 -0.250119
C -1.132843 0.402334 -0.030979
C 3.896148 -2.680053 0.484361
C -2.579711 0.205562 0.024410
C -3.356849 1.026239 0.869897
C -3.204490 -0.771620 -0.762295
C -4.733444 0.866464 0.934992
C -4.589883 -0.952442 -0.711594
C -5.339461 -0.129784 0.138006
C -7.447275 -1.151670 -0.471997
H 4.961266 2.383067 -1.362276
H 4.980505 2.704835 0.380619
H 6.357464 0.515628 -1.032387
H 6.376085 0.836940 0.710054
H 2.055231 3.097253 -0.560154
H 6.019330 -2.218002 0.376022
H -0.490555 -1.616636 0.354028
H 1.760765 -2.917560 0.552008
H -0.801722 2.545499 -0.433712
H 4.094104 -3.734505 0.676994
H -2.864696 1.789673 1.475749
H -2.608870 -1.392957 -1.432064
H -5.353221 1.486296 1.579417
H -5.058876 -1.711684 -1.327494
H -7.136336 -2.166461 -0.208661
H -8.477321 -0.958369 -0.143916
H -7.333318 -0.952152 -1.541315


%chk=000186620-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186620

0 1
O -6.828898 -0.097050 0.084784
N -0.237803 -0.591220 0.016721
C 3.474506 -0.005567 -0.015032
C 3.445168 1.430528 -0.080009
C 4.886397 1.943290 -0.108156
C 5.787133 0.649051 -0.052389
C 4.800823 -0.517034 0.003281
C 2.315627 -0.844991 0.025384
C 1.078155 -0.124835 -0.003687
C 1.020561 1.310591 -0.060165
C 2.226961 2.099436 -0.104455
C 5.000545 -1.901327 0.063824
C 2.540197 -2.258808 0.085858
C -0.372867 1.673229 -0.063020
C -1.136521 0.493201 -0.013171
C 3.853548 -2.760903 0.104445
C -2.590955 0.299134 -0.004387
C -3.459286 1.362911 0.383910
C -3.190190 -0.934029 -0.377810
C -4.851868 1.201984 0.396750
C -4.590299 -1.115619 -0.360324
C -5.427922 -0.041800 0.028599
C -7.470345 -1.361952 -0.280297
H 5.089126 2.530266 -1.023581
H 5.095017 2.610448 0.749145
H 6.444738 0.577637 -0.939072
H 6.449961 0.657369 0.833273
H 2.164515 3.192250 -0.152344
H 6.006530 -2.335397 0.079917
H -0.510565 -1.563822 0.137584
H 1.697595 -2.960757 0.117120
H -0.775307 2.682445 -0.134668
H 4.007803 -3.845391 0.150838
H -3.028484 2.319728 0.696925
H -2.566274 -1.765346 -0.728653
H -5.516035 2.017438 0.698509
H -5.009525 -2.080223 -0.661635
H -7.150328 -2.183894 0.389638
H -8.548657 -1.183242 -0.158422
H -7.254177 -1.634432 -1.331828


