%chk=000280966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280966

0 1
S 0.116256 1.704921 0.846010
S -0.116698 -1.703472 0.860536
O -2.408168 2.791530 1.214857
O 3.496115 1.206490 -0.374965
O -3.494768 -1.216322 -0.369450
O 2.408932 -2.785650 1.244123
N -3.400511 1.570418 -0.437018
N 2.992468 2.228032 1.587560
N -2.993736 -2.220195 1.602835
N 3.400813 -1.580482 -0.419735
C -1.344483 0.753780 0.654600
C 1.439627 0.570120 0.689148
C -1.439883 -0.570108 0.691940
C 1.344294 -0.754048 0.663210
C -2.441095 1.782218 0.528584
C 2.721567 1.341841 0.561619
C -2.721562 -1.343092 0.569442
C 2.441434 -1.783192 0.547908
H -4.155954 2.234463 -0.539228
H -3.492058 0.691477 -0.948878
H 3.824744 2.801563 1.544176
H 2.383488 2.376867 2.377591
H -3.825890 -2.794186 1.563423
H -2.385950 -2.361742 2.395135
H 4.156882 -2.244859 -0.514900
H 3.492634 -0.706071 -0.939223


%chk=000280966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280966

0 1
S 0.222989 1.530551 2.422128
S -0.226201 -1.516032 2.434122
O -1.051056 2.816695 0.060483
O 3.674750 0.818488 0.570454
O -3.675439 -0.816281 0.575397
O 1.057782 -2.828748 0.092976
N -3.164028 1.852638 0.304441
N 2.006881 2.384493 0.114975
N -2.009894 -2.388882 0.133342
N 3.166689 -1.853655 0.324860
C -1.243026 0.882941 1.497352
C 1.452283 0.476465 1.516095
C -1.453466 -0.469578 1.518981
C 1.241840 -0.876167 1.506101
C -1.825757 1.927815 0.558629
C 2.472391 1.239429 0.701574
C -2.473706 -1.237676 0.709512
C 1.829109 -1.931533 0.581322
H -3.561045 2.522264 -0.356514
H -3.695014 1.004858 0.581419
H 2.659694 2.930901 -0.448592
H 1.011036 2.666322 0.167906
H -2.663709 -2.939539 -0.424869
H -1.015482 -2.674319 0.192542
H 3.565464 -2.530044 -0.328156
H 3.695410 -1.001104 0.592820


