%chk=000184704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184704

0 1
S 2.421966 -1.117678 -0.696113
O 1.350233 -1.766778 0.036810
O 2.310902 -1.186235 -2.132319
O 0.285006 1.394609 1.700601
O -5.632718 -2.017230 -0.551049
O -6.364848 0.012590 -0.392173
N 2.064103 0.642074 -0.373847
N 0.719902 1.020650 -0.538671
N -5.474656 -0.821327 -0.376322
C 2.990477 1.557073 0.098524
C 4.721621 -0.233005 0.328018
C 3.933453 -1.275070 -0.086138
C 4.276306 1.116515 0.367725
C 2.587536 2.970831 0.327577
C 6.120316 -0.493717 0.789049
C -0.117094 1.006849 0.629022
C -1.519998 0.561970 0.335154
C -1.738554 -0.805722 0.118918
C -2.575600 1.480881 0.326613
C -3.036674 -1.264420 -0.111681
C -3.875455 1.028704 0.091136
C -4.091195 -0.340039 -0.126712
H 4.335957 -2.290923 -0.021266
H 5.003555 1.868329 0.679005
H 0.335025 0.660169 -1.430971
H 3.437056 3.630840 0.547683
H 1.890651 3.033720 1.190349
H 2.048412 3.397649 -0.533963
H 6.407035 -1.552947 0.732927
H 6.260209 -0.178214 1.835172
H 6.850278 0.068239 0.185545
H -0.891491 -1.513858 0.141675
H -2.387681 2.540284 0.511096
H -3.235516 -2.329773 -0.279399
H -4.721718 1.724959 0.078426


%chk=000184704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184704

0 1
S 2.670202 -1.343210 -0.969153
O 1.304519 -2.099732 -0.479963
O 3.163086 -1.584643 -2.495189
O 0.583913 1.220517 1.427111
O -5.867889 -1.621359 -0.723794
O -6.389856 0.123940 0.649322
N 2.142978 0.639628 -0.938083
N 0.769049 0.755034 -0.861034
N -5.545222 -0.602690 -0.001443
C 3.001126 1.552976 -0.325692
C 4.634666 -0.170245 0.593793
C 4.009840 -1.353134 0.255924
C 4.220837 1.166249 0.223344
C 2.557481 3.002729 -0.336678
C 5.844993 -0.274077 1.513128
C 0.045796 0.831389 0.356632
C -1.403688 0.460372 0.229776
C -1.799500 -0.672536 -0.531873
C -2.368118 1.215729 0.944603
C -3.160619 -1.026682 -0.608137
C -3.730644 0.874792 0.869968
C -4.104128 -0.238440 0.084439
H 4.207110 -2.344460 0.667639
H 4.876649 1.979340 0.549098
H 0.270484 0.496337 -1.716953
H 3.426236 3.658948 -0.166505
H 1.827353 3.179196 0.473360
H 2.087484 3.273010 -1.297804
H 6.064241 -1.315260 1.799861
H 5.685913 0.318173 2.432071
H 6.736658 0.133387 1.000963
H -1.039382 -1.308750 -1.000452
H -2.037411 2.060353 1.556753
H -3.497319 -1.898739 -1.174419
H -4.500038 1.441857 1.399787


