%chk=000248198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248198

0 1
S 2.836114 -1.470058 0.154892
O -2.170667 0.026459 1.403514
O 0.589308 -2.119682 -0.235894
O 0.214315 2.489233 -0.356834
N 0.730274 0.188964 -0.301019
N 2.974932 1.151136 0.048881
C -1.433998 -0.756385 -0.675000
C -1.535194 0.804632 -0.711107
C -2.384624 -1.114239 0.513930
C -2.526608 1.089650 0.461796
C -3.847599 -0.890346 0.054216
C -3.947961 0.658210 0.019610
C 0.018681 -1.064013 -0.377830
C -0.134953 1.350502 -0.434668
C 2.113155 0.160732 -0.049206
C 4.387030 -0.705637 0.384640
C 4.274436 0.649590 0.299613
H -1.743534 -1.240192 -1.623001
H -1.902998 1.196994 -1.679748
H -2.152498 -2.027113 1.070845
H -2.415503 2.048685 0.977635
H -4.553385 -1.321220 0.784278
H -4.073182 -1.351139 -0.917375
H -4.229592 1.042610 -0.970502
H -4.704477 1.026814 0.732720
H 5.271615 -1.289385 0.566052
H 5.067012 1.385798 0.401761


%chk=000248198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248198

0 1
S 2.773737 -0.644453 1.539009
O -2.142667 -0.279186 1.409218
O 0.429348 -2.272021 -0.704892
O 0.346686 2.365483 0.109069
N 0.721898 0.047692 -0.277088
N 3.026386 0.511461 -0.858358
C -1.486352 -0.684414 -0.833848
C -1.511809 0.854612 -0.575098
C -2.441421 -1.218550 0.285383
C -2.478346 0.965344 0.650129
C -3.906153 -0.855878 -0.085772
C -3.933194 0.695591 0.178745
C -0.036911 -1.118286 -0.618881
C -0.077019 1.239312 -0.211463
C 2.112124 0.034477 -0.034179
C 4.395142 -0.207457 0.926990
C 4.312143 0.382566 -0.325174
H -1.812584 -0.996657 -1.838972
H -1.848090 1.467709 -1.426778
H -2.247713 -2.248396 0.611487
H -2.314258 1.838437 1.294439
H -4.607920 -1.384767 0.578986
H -4.152268 -1.120079 -1.128732
H -4.201579 1.282455 -0.716699
H -4.643206 0.948251 0.982551
H 5.281992 -0.420357 1.519928
H 5.162133 0.737710 -0.907798


