%chk=000236549.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236549

0 1
O -3.792659 1.864968 -0.840064
O -3.392430 1.395214 1.307815
N 4.086305 1.971193 0.045525
C -0.428213 -1.612806 -0.024907
C -1.710614 -0.853137 0.419958
C 0.780359 -0.679827 -0.025827
C -0.153933 -2.739950 0.993856
C -0.682143 -2.245697 -1.405886
C -2.027783 0.355236 -0.463970
C 0.981577 0.196078 1.056954
C 1.730240 -0.688998 -1.056542
C 2.079667 1.048733 1.108382
C 2.840447 0.155266 -1.028525
C -3.092208 1.207443 0.152670
C 3.018522 1.039143 0.054170
H -2.568804 -1.552891 0.421860
H -1.604446 -0.522046 1.475264
H -0.010811 -2.347646 2.006162
H -0.975276 -3.461904 1.030790
H 0.757273 -3.290049 0.732832
H -0.795524 -1.486184 -2.186429
H -1.595551 -2.850509 -1.402246
H 0.137094 -2.909613 -1.703167
H -1.114078 0.979826 -0.615829
H -2.328143 0.037137 -1.486243
H 0.262423 0.213814 1.878911
H 1.618762 -1.366055 -1.904099
H 2.204060 1.725166 1.949322
H 3.554876 0.136573 -1.846300
H 4.885342 1.727181 -0.521418
H 4.360879 2.341419 0.943967
H -4.498310 2.463919 -0.481488


%chk=000236549-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236549

0 1
O -3.743486 1.997435 -0.988806
O -3.517776 1.324388 1.219121
N 4.203721 1.894516 0.119584
C -0.437529 -1.638663 0.007047
C -1.728148 -0.851338 0.413267
C 0.789052 -0.695788 0.000118
C -0.211983 -2.758970 1.068466
C -0.661578 -2.324714 -1.366639
C -2.079727 0.313147 -0.533861
C 1.113478 0.064604 1.158342
C 1.653414 -0.552511 -1.115407
C 2.230144 0.918229 1.206833
C 2.780543 0.295647 -1.086788
C -3.157465 1.216742 0.025739
C 3.091061 1.049826 0.078513
H -2.576167 -1.563199 0.456198
H -1.614911 -0.447743 1.436146
H -0.074301 -2.334305 2.079172
H -1.080213 -3.445012 1.101857
H 0.689419 -3.350205 0.824977
H -0.790808 -1.597070 -2.188331
H -1.570835 -2.952917 -1.324807
H 0.186160 -2.984323 -1.628218
H -1.180343 0.940988 -0.702635
H -2.402621 -0.034814 -1.530555
H 0.479249 -0.005705 2.050476
H 1.456288 -1.113027 -2.034807
H 2.442019 1.488361 2.120315
H 3.424169 0.375811 -1.972192
H 4.816287 1.988300 -0.684593
H 4.419105 2.430514 0.954487
H -4.419318 2.602794 -0.577520


