%chk=000229273.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229273

0 1
S 3.406594 -0.788619 0.279841
O -2.823997 1.420273 -0.151748
O -3.163492 -0.704041 -0.208380
N 1.274199 0.857934 0.145129
N 0.900744 -1.541880 0.082158
N -2.411645 0.272409 -0.137962
N -1.236934 -2.440254 -0.090470
C -1.000781 0.023924 -0.036476
C -0.050585 1.102448 0.050182
C -0.473594 -1.318384 -0.016990
C -0.463142 2.526446 0.040558
C 1.694944 -0.457741 0.157189
C 4.165417 0.838879 0.360446
H -1.156836 2.754180 0.871496
H 0.391855 3.217991 0.115375
H -1.024993 2.780464 -0.877746
H -2.257936 -2.384491 -0.165755
H -0.804048 -3.356175 -0.071616
H 3.817185 1.416336 1.229081
H 3.947918 1.442695 -0.532486
H 5.251826 0.700807 0.438973


%chk=000229273-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229273

0 1
S 3.437389 -0.832551 0.283782
O -2.894500 1.450208 -0.168658
O -3.238658 -0.792151 -0.217507
N 1.273570 0.841038 0.146868
N 0.879359 -1.560904 0.083401
N -2.431831 0.243355 -0.145552
N -1.243740 -2.465181 -0.089421
C -1.004415 0.010413 -0.038233
C -0.064550 1.096426 0.049774
C -0.473579 -1.348071 -0.016121
C -0.424079 2.561578 0.047314
C 1.671824 -0.469890 0.157500
C 4.162235 0.903461 0.358956
H -1.105530 2.813767 0.877969
H 0.508258 3.139338 0.132718
H -0.964362 2.845986 -0.872026
H -2.261150 -2.348333 -0.164303
H -0.767807 -3.366690 -0.065801
H 3.777354 1.428687 1.243141
H 3.895656 1.456132 -0.551646
H 5.251254 0.756582 0.428646


