%chk=000256904.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256904

0 1
S 4.042923 0.461870 -1.036218
S 6.444987 -0.800473 2.479101
S -8.399663 -0.358942 0.536704
O 4.392710 1.849929 -1.144207
O 4.437383 -0.507543 -2.018675
N 4.581910 -0.113164 0.541994
N -1.776743 -0.058317 0.070620
N 6.939905 0.100791 0.074834
N -2.678179 0.226893 -0.751342
N -6.383608 0.255362 -1.024272
N -5.787734 -0.551470 1.197627
N -4.750720 0.861880 -2.585708
C 2.344539 0.322022 -0.745671
C 1.632393 1.411853 -0.229802
C 1.676110 -0.864923 -1.070251
C -0.401009 0.113253 -0.322905
C 0.259164 1.317189 -0.012538
C 0.303271 -0.980519 -0.860710
C 5.919130 -0.209627 0.863975
C -4.025670 0.056389 -0.359551
C 8.109673 -0.594209 1.999870
C 8.173119 -0.119506 0.724191
C -5.032294 0.395502 -1.333487
C -4.482773 -0.417014 0.901633
C -6.689072 -0.204116 0.206965
C -8.466804 -0.981126 2.222330
H 2.153446 2.351650 -0.005251
H 2.231322 -1.707033 -1.503493
H 3.914318 -0.392179 1.269804
H -0.298671 2.161871 0.390786
H -0.220628 -1.902944 -1.109706
H 8.915970 -0.829145 2.669643
H 9.071524 0.107619 0.153487
H -3.758096 -0.691648 1.685602
H -5.496572 1.085166 -3.230559
H -3.797250 0.993027 -2.890426
H -7.959925 -1.951195 2.327024
H -9.523438 -1.102251 2.494680
H -7.992550 -0.293722 2.937502


%chk=000256904-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256904

0 1
S 4.154586 2.032265 0.684896
S 7.450289 -0.815207 0.620569
S -8.001677 -1.476663 -0.478485
O 4.372250 3.180920 1.821403
O 4.716438 2.202585 -0.830660
N 4.951703 0.313658 1.485667
N -1.781039 0.740824 0.585046
N 4.989952 -1.109731 -0.443978
N -2.229229 -0.111686 -0.312912
N -5.468587 -1.576032 -1.319359
N -5.870481 -0.164548 0.643694
N -3.319014 -1.795528 -2.229894
C 2.332884 1.579388 0.637994
C 1.470426 2.283975 1.493356
C 1.919355 0.568034 -0.251573
C -0.370464 0.965147 0.539455
C 0.099027 1.966091 1.433596
C 0.548327 0.262827 -0.296631
C 5.590818 -0.493562 0.578592
C -3.609951 -0.367124 -0.268140
C 7.204088 -1.866113 -0.799828
C 5.874300 -1.854428 -1.209607
C -4.138219 -1.257043 -1.282961
C -4.547659 0.142776 0.670061
C -6.258178 -1.017888 -0.366683
C -8.722629 -0.525456 0.976303
H 1.861127 3.051115 2.168769
H 2.651875 0.026421 -0.859531
H 5.531040 0.674426 2.263967
H -0.629677 2.479693 2.067853
H 0.171941 -0.519073 -0.961373
H 8.030768 -2.438265 -1.215511
H 5.491517 -2.409586 -2.066667
H -4.203150 0.814620 1.462053
H -3.711467 -2.417356 -2.934008
H -2.327898 -1.557638 -2.208019
H -8.254307 -0.864336 1.909968
H -9.799415 -0.756239 0.965959
H -8.547272 0.549937 0.840218


