%chk=000256292.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256292

0 1
S 0.175205 -0.109895 -1.194469
O 0.578562 -1.484931 -1.458601
O 0.216207 0.855913 -2.277998
O 3.846281 1.468811 1.497015
O 3.873596 -1.155274 1.085869
N 1.221967 0.536034 0.033590
N -5.113094 -0.176413 1.426393
C 2.391604 1.297024 -0.487795
C 1.540571 -0.388971 1.148390
C -1.357657 -0.122291 -0.434572
C 3.004544 2.199403 0.592832
C 2.512530 -1.532086 0.807344
C -1.976161 1.080022 -0.059772
C -2.015724 -1.341551 -0.207224
C -3.227377 1.079361 0.541069
C -3.266600 -1.374758 0.390646
C -3.884773 -0.155936 0.775382
H 2.041392 1.930290 -1.342741
H 3.183206 0.619836 -0.889866
H 0.585185 -0.799610 1.544794
H 1.980157 0.222401 1.980840
H 2.243410 2.655217 1.253581
H 3.624012 2.993549 0.134981
H 2.535076 -1.783518 -0.275741
H 2.278632 -2.449236 1.374662
H -1.469625 2.034274 -0.244670
H -1.533617 -2.281033 -0.511352
H -3.695055 2.015340 0.831434
H -3.765648 -2.323427 0.564057
H 4.293878 0.718004 1.016014
H 3.984659 -0.977414 2.046921
H -5.629389 0.676535 1.556994
H -5.657451 -1.021472 1.450893


%chk=000256292-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256292

0 1
S 0.223385 -0.139199 -1.240466
O 0.579191 -1.712686 -1.566896
O 0.281108 0.975498 -2.429420
O 3.661263 1.688493 1.805921
O 3.954786 -0.928740 1.128848
N 1.304566 0.612667 0.178894
N -5.267266 -0.145830 1.319751
C 2.486739 1.307841 -0.402977
C 1.554986 -0.422613 1.218569
C -1.449190 -0.133461 -0.417652
C 3.087012 2.305682 0.614161
C 2.603551 -1.516411 0.932470
C -2.047646 1.098296 -0.090211
C -2.087252 -1.367882 -0.197827
C -3.324787 1.090910 0.494244
C -3.366538 -1.371051 0.384967
C -4.003658 -0.143348 0.742128
H 2.123217 1.872255 -1.281570
H 3.276355 0.605605 -0.741187
H 0.588885 -0.915223 1.438645
H 1.855633 0.136963 2.125417
H 2.304048 3.000100 0.965823
H 3.861619 2.890966 0.069575
H 2.486950 -1.907715 -0.095537
H 2.457778 -2.341851 1.658421
H -1.525748 2.039424 -0.287117
H -1.588778 -2.296872 -0.494300
H -3.805901 2.038974 0.760761
H -3.881289 -2.322442 0.561862
H 4.011155 0.774176 1.577789
H 4.656974 -1.575745 0.878128
H -5.730252 0.723992 1.567551
H -5.762394 -1.016574 1.490135


