%chk=000289107.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289107

0 1
S 2.084489 -2.371938 0.592314
O -0.865608 -2.233394 -0.529702
O -0.720896 1.137339 2.643545
N -1.069985 -0.361535 0.870805
N 1.367702 -0.942949 -2.006171
C 0.531754 -2.037817 1.470066
C 0.599845 -0.914306 2.496601
C -0.524219 -1.626155 0.453204
C -0.439519 0.112961 2.080647
C -2.093024 0.363912 0.149488
C 2.687443 -0.840921 0.049215
C -2.910138 1.281319 0.833699
C -2.265422 0.144954 -1.228688
C 2.323333 -0.328243 -1.218720
C 3.637624 -0.170599 0.836309
C -3.896442 1.974426 0.129702
C -3.261752 0.844445 -1.912215
C -4.078016 1.759303 -1.240096
C 2.931333 0.882120 -1.670657
C 4.219405 1.006741 0.388580
C 3.855357 1.528369 -0.870434
H 0.249958 -3.016201 1.936201
H 1.598857 -0.428637 2.554911
H 0.400229 -1.268775 3.528393
H -2.771242 1.468231 1.900999
H -1.639913 -0.573412 -1.761708
H 3.926428 -0.586449 1.804772
H -4.528502 2.688689 0.657244
H -3.401459 0.672418 -2.979004
H -4.850989 2.301435 -1.780119
H 2.658540 1.293252 -2.638376
H 4.953343 1.528236 0.995973
H 4.316185 2.456593 -1.214248
H 1.204637 -0.624769 -2.945044
H 0.996863 -1.858744 -1.775985


%chk=000289107-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289107

0 1
S 2.104081 -2.488044 0.672311
O -0.960667 -2.157926 -0.528226
O -0.903357 1.278276 2.693487
N -1.175663 -0.259661 0.892886
N 1.545873 -1.051298 -2.043648
C 0.477767 -1.884642 1.492360
C 0.606312 -0.683463 2.438016
C -0.604879 -1.497966 0.475654
C -0.555104 0.244594 2.084527
C -2.249468 0.408242 0.194462
C 2.848441 -0.924694 0.044070
C -3.305164 1.003198 0.925901
C -2.229875 0.467758 -1.219996
C 2.506248 -0.431052 -1.259479
C 3.840735 -0.278568 0.819068
C -4.344182 1.659858 0.232149
C -3.279389 1.119383 -1.901086
C -4.338493 1.717880 -1.180274
C 3.188874 0.734221 -1.729587
C 4.504276 0.871492 0.340340
C 4.164497 1.370034 -0.941749
H 0.143881 -2.802192 2.009070
H 1.543637 -0.122419 2.263194
H 0.571649 -0.950961 3.506344
H -3.305678 0.966374 2.017696
H -1.408275 0.005651 -1.772924
H 4.099538 -0.702116 1.795995
H -5.158687 2.124340 0.798144
H -3.267177 1.162191 -2.995580
H -5.149632 2.225295 -1.713625
H 2.941568 1.129905 -2.722237
H 5.269607 1.362842 0.948372
H 4.669007 2.261340 -1.332079
H 1.367849 -0.726504 -2.989906
H 1.068049 -1.891471 -1.712152


