%chk=000232728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232728

0 1
O -3.784447 -2.357307 1.046539
O -2.008788 0.798325 -1.842581
O 3.789228 -2.356861 -1.051823
O 2.001337 0.791098 1.838127
N -2.700739 -1.027280 -0.547965
N 2.699144 -1.031191 0.541883
C -4.246075 0.052928 0.822910
C -3.699605 1.022694 -0.064131
C 4.248138 0.053285 -0.821473
C 3.697799 1.020677 0.065770
C -3.609750 -1.279581 0.544481
C -2.687475 0.357856 -0.954078
C 3.612001 -1.280332 -0.548054
C 2.683321 0.353046 0.950976
C -1.752043 -2.039840 -1.070058
C 1.749963 -2.045970 1.058772
C -5.202847 0.394847 1.753576
C -4.107631 2.338097 -0.023420
C 5.207785 0.398015 -1.748132
C 4.104801 2.336516 0.029246
C -5.623437 1.745884 1.798546
C -5.089637 2.692883 0.932639
C 5.627338 1.749512 -1.788791
C 5.089752 2.694196 -0.922701
C -0.515105 -2.043168 -0.321130
C 0.513079 -2.044975 0.309747
H -2.243924 -3.047839 -1.016044
H -1.550853 -1.812656 -2.151420
H 2.241437 -3.053906 0.999582
H 1.548794 -1.824281 2.141250
H -5.623605 -0.345240 2.435556
H -3.690455 3.084539 -0.700533
H 5.631506 -0.340243 -2.430258
H 3.684678 3.081149 0.706529
H -6.378733 2.038666 2.529697
H -5.425341 3.729918 0.983428
H 6.384869 2.044508 -2.516733
H 5.424720 3.731630 -0.970127


%chk=000232728-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232728

0 1
O -3.811683 -2.332747 1.268143
O -2.252595 0.787039 -1.897943
O 3.812213 -2.330393 -1.276698
O 2.250909 0.779034 1.898479
N -2.804533 -1.002099 -0.428633
N 2.803857 -1.005288 0.423692
C -4.408511 0.058832 0.880856
C -3.939413 0.997197 -0.071521
C 4.408941 0.059842 -0.881031
C 3.939204 0.995069 0.074112
C -3.691409 -1.239424 0.664854
C -2.906413 0.331445 -0.929129
C 3.691387 -1.238990 -0.670049
C 2.905650 0.326501 0.928857
C -1.863039 -2.005544 -0.955280
C 1.861844 -2.010403 0.946214
C -5.390942 0.400400 1.821955
C -4.437084 2.307843 -0.114203
C 5.392184 0.404455 -1.820171
C 4.436919 2.305534 0.121531
C -5.899344 1.725193 1.788831
C -5.429696 2.664311 0.835570
C 5.900670 1.729087 -1.782230
C 5.430326 2.665084 -0.826246
C -0.553274 -1.998437 -0.276096
C 0.552090 -1.999841 0.267051
H -2.338344 -2.997560 -0.844536
H -1.726786 -1.796621 -2.032340
H 2.336690 -3.002170 0.831329
H 1.725668 -1.805926 2.024134
H -5.745722 -0.333173 2.552585
H -4.067130 3.023659 -0.854849
H 5.747469 -0.326690 -2.552986
H 4.066445 3.018888 0.864288
H -6.665453 2.029645 2.509868
H -5.840347 3.679629 0.835068
H 6.667378 2.035862 -2.501645
H 5.841072 3.680355 -0.822027


