%chk=000241013.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241013

0 1
S 1.202664 -1.165333 0.031071
O 4.446653 0.961728 0.338627
O 4.045660 -1.213982 -0.031279
N -0.616119 0.785449 0.395442
N -1.402540 -1.480977 -0.035746
N -2.121700 2.579427 0.637774
N -3.695007 -1.996821 -0.055479
C -0.443116 -0.540817 0.144562
C -1.935784 1.218713 0.457996
C -2.715213 -1.028542 0.058601
C -3.021376 0.329652 0.299768
C 2.187000 0.336484 0.282911
C 3.598066 -0.112372 0.171058
H -4.043114 0.673235 0.359108
H 1.971250 0.814128 1.266423
H 1.934088 1.128720 -0.459726
H -1.326504 3.161865 0.856670
H -3.025116 2.932957 0.898633
H -4.654690 -1.734726 -0.189524
H -3.433734 -2.937161 -0.318942
H 5.405432 0.704970 0.270653


%chk=000241013-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241013

0 1
S 1.187874 -1.315001 -0.027130
O 4.392797 1.138267 0.396327
O 4.217812 -1.139197 -0.034900
N -0.614700 0.727795 0.369538
N -1.478253 -1.512342 -0.050321
N -2.030615 2.548377 0.719796
N -3.763144 -1.960832 -0.123596
C -0.489599 -0.599910 0.116991
C -1.909591 1.197808 0.463711
C -2.763593 -1.026849 0.047946
C -3.031885 0.345081 0.307676
C 2.182711 0.256007 0.265781
C 3.662131 -0.044109 0.183051
H -4.054262 0.725466 0.383579
H 1.930380 0.672742 1.253688
H 1.901571 1.013881 -0.482349
H -1.178146 3.094843 0.818852
H -2.937272 2.997075 0.808766
H -4.746120 -1.711120 -0.073116
H -3.486704 -2.923102 -0.307018
H 5.365408 0.931716 0.341329


