%chk=000282592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282592

0 1
O 0.321414 -1.685627 0.866979
O 3.317255 -1.314541 -0.344337
O -0.321245 -2.254911 -1.234627
O -2.120448 1.237973 3.674515
O -4.691455 -0.228444 -2.690733
O -4.009835 2.098721 3.051749
O -5.775124 1.103908 -1.367626
N -3.024111 1.408815 2.877412
N -4.841519 0.376155 -1.646691
C -1.688779 -0.765943 0.095282
C 1.571791 -2.433629 0.725752
C -2.681028 -0.612339 -0.884713
C -1.794539 -0.108277 1.327815
C 2.695872 -1.434178 0.966963
C -2.909950 0.709152 1.571951
C -3.785484 0.210066 -0.613254
C -3.915697 0.879440 0.611174
C -0.526068 -1.641165 -0.217516
C 4.351303 -0.411449 -0.495177
C 4.879244 0.392645 0.519644
C 4.845854 -0.377379 -1.815481
C 5.935129 1.254958 0.194452
C 5.894332 0.488746 -2.105194
C 6.442231 1.306803 -1.103915
H 1.639646 -2.895736 -0.285284
H 1.498378 -3.210978 1.505541
H -2.594949 -1.130421 -1.856334
H -1.014012 -0.229410 2.098185
H 2.310983 -0.446963 1.285661
H 3.450489 -1.806534 1.681960
H -4.789255 1.525022 0.813370
H 4.498686 0.365236 1.533337
H 4.402841 -1.020052 -2.572565
H 6.361285 1.890638 0.970956
H 6.294181 0.533439 -3.118671
H 7.261589 1.979456 -1.344582


%chk=000282592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282592

0 1
O 0.402214 -1.843139 1.003305
O 2.972150 -1.196041 -0.272252
O -0.463591 -2.726431 -0.986054
O -1.662582 1.878719 3.269849
O -4.695966 -0.697299 -2.681814
O -3.584125 2.816696 2.471666
O -5.652335 1.058701 -1.580579
N -2.624648 1.959526 2.416644
N -4.736892 0.164040 -1.725681
C -1.592583 -0.876630 0.123239
C 1.590283 -2.738312 0.936506
C -2.626837 -0.841494 -0.841266
C -1.586782 0.043156 1.196993
C 2.845199 -1.883342 1.013757
C -2.627312 0.987986 1.283658
C -3.643272 0.122975 -0.710106
C -3.672659 1.055359 0.344156
C -0.515997 -1.908821 -0.040873
C 4.043792 -0.293021 -0.430292
C 5.022455 -0.036057 0.560845
C 4.096331 0.365432 -1.682942
C 6.055068 0.891284 0.283952
C 5.131629 1.284864 -1.941951
C 6.117536 1.554463 -0.960393
H 1.552290 -3.320117 -0.000103
H 1.522537 -3.408257 1.810662
H -2.630114 -1.552004 -1.673107
H -0.792126 0.027235 1.945606
H 2.768067 -1.151436 1.843001
H 3.722388 -2.540370 1.194639
H -4.471168 1.796914 0.427552
H 4.997724 -0.538319 1.532692
H 3.326767 0.142488 -2.428367
H 6.812108 1.091793 1.050433
H 5.169295 1.792370 -2.912101
H 6.920160 2.270285 -1.165277


