%chk=000257591.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257591

0 1
S -1.865941 2.147090 1.720749
S 1.132382 1.855919 -0.136199
S 0.177309 1.510680 1.715119
O -1.888450 3.397985 1.033153
O -2.192694 2.045250 3.113525
O 1.840153 3.095570 -0.060358
O 0.084886 1.646715 -1.105102
O -4.491396 -2.025861 -1.400627
O 4.741100 -2.732471 -0.049502
C -2.628185 0.913582 0.840751
C 2.218488 0.546732 -0.104555
C -3.276575 -0.126887 1.523049
C 3.514653 0.721750 0.399519
C -2.617927 0.929466 -0.569173
C 1.812298 -0.717347 -0.574372
C -3.923517 -1.144873 0.828384
C 4.413273 -0.342012 0.443822
C -3.254850 -0.072250 -1.285900
C 2.684200 -1.793317 -0.544051
C -3.906941 -1.106308 -0.577781
C 3.987025 -1.595558 -0.027146
C -5.207334 -3.136120 -0.799561
C 6.100265 -2.671066 0.457842
H -3.280884 -0.139034 2.621588
H 3.832874 1.709463 0.759835
H -2.092464 1.735185 -1.111013
H 0.799038 -0.850328 -0.974321
H -4.423787 -1.940722 1.369230
H 5.413644 -0.192314 0.836974
H -3.257814 -0.078556 -2.374940
H 2.394735 -2.779411 -0.902483
H -6.050172 -2.767713 -0.207608
H -5.557998 -3.679926 -1.687607
H -4.524540 -3.751124 -0.206631
H 6.097079 -2.402911 1.518371
H 6.436519 -3.707316 0.314369
H 6.697547 -1.978063 -0.141650


%chk=000257591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257591

0 1
S -1.990838 1.885392 1.783287
S 1.283382 1.471057 -0.043451
S 0.214479 0.734194 2.063210
O -1.717479 3.203637 0.873627
O -2.623756 1.991986 3.279923
O 1.910216 2.962138 0.106821
O 0.280805 1.101795 -1.278383
O -5.381446 -1.931745 -1.428289
O 5.811611 -2.516871 -0.159562
C -3.025352 0.663289 0.814416
C 2.697893 0.245926 -0.050810
C -4.028220 -0.030909 1.508231
C 3.922235 0.654709 0.501055
C -2.771894 0.509218 -0.563516
C 2.487385 -1.025831 -0.620969
C -4.850597 -0.916030 0.780153
C 5.001713 -0.252994 0.480051
C -3.593349 -0.377502 -1.278133
C 3.565951 -1.923702 -0.640380
C -4.631422 -1.086871 -0.613101
C 4.819959 -1.543041 -0.086996
C -6.481190 -2.688840 -0.815993
C 7.137737 -2.200705 0.389658
H -4.174595 0.131190 2.580709
H 4.035289 1.660610 0.917736
H -1.955342 1.047930 -1.057443
H 1.518225 -1.291773 -1.053350
H -5.646244 -1.454618 1.301532
H 5.963072 0.051997 0.901416
H -3.449435 -0.537741 -2.350124
H 3.466048 -2.921992 -1.075110
H -7.240168 -2.009183 -0.384202
H -6.923284 -3.264058 -1.641655
H -6.105708 -3.379360 -0.037105
H 7.079205 -1.988306 1.473837
H 7.737419 -3.105732 0.219117
H 7.593695 -1.343362 -0.140510


