%chk=000236500.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236500

0 1
S -3.750531 -0.942840 -0.996970
O 3.187952 -1.277051 0.722641
O 3.536998 1.876269 1.316490
O 3.571434 0.617148 -1.981573
O 6.694584 -0.687803 -0.117033
O -6.255852 0.294089 1.230474
N 0.998449 -0.565335 0.461629
N -0.686459 -1.898946 -0.365996
N -0.293275 1.580545 0.652732
N -2.612056 1.319867 -0.074894
C 2.888695 1.096191 0.318362
C 2.321000 -0.175660 1.015659
C 3.996820 0.570362 -0.631484
C 4.275655 -0.874935 -0.167157
C 5.553004 -0.985367 0.683897
C -0.133388 0.251190 0.354396
C 0.594705 -1.868163 0.014539
C -1.183220 -0.600200 -0.169627
C -2.439668 0.013906 -0.361452
C -1.545894 2.046032 0.420138
C -5.212918 0.097175 -0.894603
C -6.051870 -0.401784 0.265058
C -6.615963 -1.784178 0.128771
H 2.126408 1.698823 -0.221671
H 2.269194 -0.098001 2.128969
H 4.909607 1.218132 -0.623535
H 4.251722 -1.604028 -1.001974
H 5.641188 -1.984383 1.145383
H 5.585681 -0.210563 1.478924
H 2.934841 2.594242 1.627263
H 2.759206 0.083568 -2.129851
H 1.297194 -2.696099 0.011945
H 6.863463 -1.402726 -0.765896
H -1.745034 3.108132 0.643406
H -4.956828 1.175897 -0.747193
H -5.758032 0.052170 -1.856793
H -7.403177 -1.963449 0.877759
H -7.046191 -1.979332 -0.859823
H -5.841644 -2.548695 0.303089


%chk=000236500-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236500

0 1
S -3.777928 -1.028875 -1.145247
O 3.271967 -1.319579 0.780626
O 3.688232 1.810285 1.256123
O 3.247492 0.218782 -2.052610
O 6.827254 -0.370965 -0.080906
O -6.426142 0.494198 1.198445
N 1.027866 -0.635883 0.352876
N -0.615559 -1.948200 -0.579635
N -0.288036 1.422112 0.783509
N -2.610953 1.183015 0.053464
C 2.917659 1.034924 0.285825
C 2.321895 -0.234680 0.971313
C 3.901880 0.445587 -0.758893
C 4.402639 -0.854384 -0.101966
C 5.666186 -0.675423 0.765144
C -0.129444 0.145083 0.334624
C 0.672408 -1.885157 -0.191954
C -1.138314 -0.684080 -0.255069
C -2.420573 -0.089559 -0.381740
C -1.565479 1.871370 0.609223
C -5.222808 0.181340 -0.879441
C -6.165900 -0.279030 0.240511
C -6.780245 -1.666119 0.123146
H 2.138441 1.646674 -0.199496
H 2.161996 -0.075806 2.052764
H 4.726893 1.139331 -0.971424
H 4.558062 -1.644233 -0.860751
H 5.821015 -1.587099 1.375931
H 5.554533 0.195040 1.429091
H 3.076572 2.407491 1.755687
H 2.489695 -0.413273 -1.946584
H 1.393023 -2.695607 -0.256613
H 7.078444 -1.174875 -0.602557
H -1.781604 2.888306 0.946273
H -4.772722 1.154758 -0.623955
H -5.747928 0.224491 -1.849272
H -7.512897 -1.824221 0.928821
H -7.271449 -1.793618 -0.860034
H -5.990371 -2.437920 0.188749


