%chk=000216145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216145

0 1
O 6.291390 0.187080 -0.998090
N -0.188905 -1.007143 -0.034034
N 3.722113 -0.539614 0.030422
C -1.965470 0.496271 -0.874621
C -0.407454 0.276051 -0.788486
C -2.518333 -0.776902 -0.253368
C -1.450981 -1.638917 0.136521
C 0.979848 -1.831886 -0.446353
C -2.327509 1.740035 -0.075831
C -2.425721 0.586210 -2.334557
C 1.893628 -2.068655 0.769793
C -3.831960 -1.161109 -0.059875
C 2.730045 -0.826897 1.119966
C -1.708178 -2.890847 0.698120
C -2.540904 1.647148 1.309477
C -2.409192 2.997683 -0.691913
C -4.095650 -2.419197 0.514738
C 4.877097 -1.496020 0.082154
C 4.231038 0.868336 0.142253
C -3.048402 -3.263956 0.883104
C 5.831835 -1.178028 -1.078853
C 5.202810 1.133074 -1.018731
C -2.848919 2.785493 2.057538
C -2.717518 4.136410 0.058612
C -2.940837 4.034123 1.434169
H 0.055502 0.260816 -1.792051
H 0.084246 1.085906 -0.211353
H 0.657705 -2.807656 -0.870016
H 1.561336 -1.314372 -1.244845
H -2.245278 -0.357996 -2.863175
H -3.502776 0.786440 -2.394165
H -1.908996 1.379202 -2.884624
H 2.552577 -2.933462 0.562065
H 1.281897 -2.344870 1.652566
H 3.205770 -0.963726 2.114365
H 2.044170 0.046437 1.214767
H -4.651852 -0.505220 -0.345808
H -0.902165 -3.551685 0.995219
H -2.463258 0.678759 1.807620
H -2.233353 3.099157 -1.761457
H 4.480143 -2.528081 -0.026332
H 5.430262 -1.455170 1.045177
H 4.738527 1.070775 1.109843
H 3.364918 1.560132 0.071630
H -5.125048 -2.729824 0.669431
H -3.269529 -4.235290 1.324691
H 5.350955 -1.336333 -2.060038
H 6.774198 -1.748949 -1.014826
H 5.726613 2.098925 -0.913575
H 4.695875 1.073788 -1.997825
H -3.017049 2.698883 3.129615
H -2.783044 5.105465 -0.432414
H -3.183117 4.919706 2.016963


%chk=000216145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216145

0 1
O 5.129148 1.447236 -0.788771
N -0.196305 -1.613811 -0.561482
N 2.928234 -0.166215 0.228833
C -1.735914 0.155799 -1.155911
C -0.362605 -0.518001 -1.546918
C -2.425312 -1.004155 -0.416748
C -1.447264 -1.982009 -0.061552
C 1.020480 -2.419640 -0.471700
C -1.465983 1.370170 -0.225709
C -2.527126 0.598687 -2.413740
C 1.730671 -2.297362 0.901703
C -3.763790 -1.174429 -0.043136
C 2.093757 -0.840580 1.257022
C -1.806737 -3.130924 0.684934
C -1.791919 1.360088 1.153606
C -0.832223 2.529509 -0.752292
C -4.144501 -2.331060 0.694169
C 4.310385 -0.705720 0.149558
C 2.973214 1.306680 0.438232
C -3.166655 -3.288389 1.052843
C 5.083764 -0.010482 -0.983538
C 3.757047 1.976770 -0.699909
C -1.502634 2.472760 1.978628
C -0.544575 3.643153 0.066110
C -0.879469 3.620409 1.440843
H -0.426798 -0.931043 -2.580074
H 0.488636 0.182288 -1.499754
H 0.794772 -3.489063 -0.676195
H 1.713952 -2.067634 -1.255428
H -2.746632 -0.274613 -3.053073
H -3.485472 1.068477 -2.129175
H -1.963101 1.332800 -3.016836
H 2.628564 -2.947349 0.894826
H 1.069204 -2.683893 1.701085
H 2.589501 -0.821240 2.261363
H 1.153283 -0.265134 1.345202
H -4.515578 -0.422610 -0.312149
H -1.065791 -3.887157 0.964886
H -2.278536 0.479080 1.584202
H -0.560481 2.568236 -1.814337
H 4.273785 -1.791873 -0.054465
H 4.858187 -0.557057 1.115224
H 3.457280 1.564672 1.414062
H 1.939510 1.699927 0.456781
H -5.189759 -2.477568 0.985559
H -3.464193 -4.176124 1.623904
H 4.599890 -0.243344 -1.957600
H 6.136771 -0.337241 -1.005930
H 3.870684 3.059135 -0.522912
H 3.229318 1.809552 -1.664756
H -1.765684 2.439818 3.042281
H -0.063084 4.527582 -0.367295
H -0.658815 4.483393 2.079134


