%chk=000180414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180414

0 1
S 0.892424 0.345894 -1.504745
O -3.741235 -0.004870 -0.276056
O -2.932955 -2.096615 0.049203
O 1.794748 -1.001441 0.600228
N -0.868949 -0.273123 1.297763
N 3.379865 0.163218 -0.614510
C -1.401272 -0.142670 -0.075275
C -0.529849 -0.729756 -1.192361
C -2.732183 -0.914120 -0.067936
C 4.519517 -0.108617 0.304418
C 2.114809 -0.276698 -0.314550
C 4.991788 1.168061 0.990563
C -5.103298 -0.510361 -0.246334
H -1.618751 0.946723 -0.273181
H -0.197026 -1.761519 -0.939655
H -1.085063 -0.810586 -2.150344
H -0.095988 0.371954 1.449558
H -0.500847 -1.211882 1.467198
H 4.206315 -0.867840 1.062578
H 5.341157 -0.565424 -0.293406
H 3.558438 0.809399 -1.380590
H 5.336881 1.924948 0.276754
H 4.194953 1.625452 1.592572
H 5.827343 0.958339 1.671214
H -5.388393 -0.670762 0.798290
H -5.178753 -1.441547 -0.817485
H -5.674874 0.302546 -0.705109


%chk=000180414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180414

0 1
S 0.817137 0.684737 -1.453199
O -3.738337 -0.401132 -0.698258
O -2.928808 -1.268183 1.308387
O 1.862080 -1.367401 0.120280
N -0.957585 0.723574 1.326170
N 3.365495 0.269537 -0.621065
C -1.596594 0.403570 0.052397
C -0.695616 -0.342704 -0.994959
C -2.801354 -0.501579 0.328841
C 4.575019 -0.290500 0.018152
C 2.126673 -0.312324 -0.507398
C 5.149765 0.640609 1.104564
C -4.929715 -1.277998 -0.568865
H -1.974674 1.327052 -0.422414
H -0.292434 -1.281253 -0.570499
H -1.237892 -0.539069 -1.934093
H -0.095490 1.266606 1.225225
H -0.868825 -0.083107 1.952687
H 4.280995 -1.260117 0.452463
H 5.334879 -0.488368 -0.762488
H 3.450924 1.141230 -1.148845
H 5.436679 1.623651 0.686982
H 4.410923 0.806957 1.907294
H 6.053201 0.188042 1.552060
H -5.489135 -1.021638 0.346140
H -4.622711 -2.336306 -0.521543
H -5.525799 -1.075184 -1.469213


