%chk=000295918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295918

0 1
S 3.753507 0.540254 0.130814
O -2.794297 1.023380 -1.093469
N -2.840351 -0.570358 0.542035
N 1.478042 -0.816507 -0.348915
N 1.325502 1.553550 0.189352
N -0.442317 -2.121853 -0.711309
C -0.699132 0.281654 -0.207688
C 0.093670 -0.874209 -0.440767
C -2.179577 0.313171 -0.316397
C -0.020218 1.484711 0.082118
C 2.016999 0.384497 -0.027104
C -4.315743 -0.587105 0.610286
C 4.374427 -1.114549 -0.205452
H -0.577740 2.421597 0.234480
H -2.346504 -1.059292 1.280852
H -4.689284 -1.619850 0.520210
H -4.748050 0.008447 -0.220186
H -4.681469 -0.153964 1.555870
H 0.182964 -2.866128 -0.994521
H -1.394039 -2.194393 -1.041467
H 4.118176 -1.452256 -1.218928
H 3.972130 -1.857333 0.496959
H 5.467402 -1.089564 -0.106573


%chk=000295918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295918

0 1
S 3.836704 0.588003 0.002001
O -2.830046 1.430313 -0.598678
N -2.854446 -0.686107 0.387780
N 1.468580 -0.767421 -0.295042
N 1.379489 1.654013 -0.020024
N -0.436981 -2.074742 -0.588094
C -0.699509 0.358107 -0.167066
C 0.097213 -0.824411 -0.341767
C -2.195833 0.422017 -0.158156
C 0.021971 1.573134 -0.053154
C 2.033509 0.452692 -0.115275
C -4.318361 -0.707773 0.527444
C 4.337800 -1.213760 -0.190607
H -0.533081 2.514302 0.015441
H -2.304813 -1.348182 0.942090
H -4.719749 -1.703011 0.266934
H -4.731497 0.047523 -0.159119
H -4.637167 -0.448379 1.555100
H 0.222979 -2.829710 -0.771288
H -1.415402 -2.177225 -0.853422
H 3.998475 -1.592679 -1.164637
H 3.896992 -1.812975 0.618156
H 5.437274 -1.219830 -0.128416


