%chk=000241666.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241666

0 1
S 4.280003 -2.539779 -0.460437
S -5.676038 -0.294624 0.138540
O 2.368873 2.458556 1.044730
O 1.074853 -2.325562 0.544353
O -3.803096 2.395278 -0.973889
O 4.898379 0.009990 0.009638
O -3.877815 -2.175153 -0.385876
N 2.073412 -0.247963 0.734779
N -2.561173 0.460422 -0.707763
N 5.888923 -0.934999 -1.829210
N -5.219051 -2.576724 1.433864
C 0.965979 0.589042 0.416783
C -1.314085 1.023920 -0.289611
C -0.282110 0.108654 0.015693
C 1.163497 1.995720 0.519272
C -1.106767 2.408887 -0.189942
C 0.139598 2.889992 0.216701
C 2.060483 -1.648181 0.757513
C -3.729126 1.182933 -0.996430
C 3.407966 -2.262583 1.090507
C -4.914647 0.315506 -1.375635
C 3.336851 2.863054 0.039767
C 5.076899 -0.941182 -0.720555
C -4.774074 -1.846131 0.360987
H -0.450697 -0.972875 -0.055180
H -1.914073 3.112082 -0.421123
H 0.315740 3.961549 0.312628
H 2.957490 0.260757 0.941343
H -2.595216 -0.575822 -0.744313
H 4.008306 -1.659256 1.804063
H 3.255910 -3.254508 1.576081
H -5.669537 0.932067 -1.916425
H -4.642346 -0.513608 -2.065610
H 4.114512 3.337716 0.649390
H 2.895109 3.571855 -0.662957
H 3.728695 1.974997 -0.469300
H 6.021495 -1.735321 -2.427602
H 6.385054 -0.092715 -2.089263
H -5.949446 -2.265868 2.054727
H -4.760029 -3.446025 1.677062


%chk=000241666-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241666

0 1
S 4.372120 -2.827351 -0.489521
S -5.771280 -0.293430 0.458969
O 2.666332 2.123918 0.321704
O 0.883051 -2.487480 0.556057
O -3.865140 2.535984 -1.066963
O 5.025530 -0.242410 0.255107
O -3.752760 -2.061625 -0.214860
N 2.028494 -0.428909 0.463219
N -2.652558 0.539751 -0.715986
N 6.271165 -1.167118 -1.485871
N -5.122793 -2.688630 1.559049
C 0.974691 0.457331 0.121508
C -1.338951 1.028885 -0.466698
C -0.353844 0.058921 -0.134679
C 1.315073 1.845292 0.043935
C -0.997300 2.401583 -0.542096
C 0.334320 2.798068 -0.285079
C 1.946379 -1.798713 0.652351
C -3.799742 1.270131 -0.969953
C 3.279142 -2.458752 1.018296
C -5.052131 0.403754 -1.159971
C 3.107048 3.514816 0.246703
C 5.291349 -1.197668 -0.523308
C -4.726390 -1.837865 0.558991
H -0.604386 -1.002970 -0.065092
H -1.765160 3.134476 -0.793332
H 0.590208 3.860117 -0.343849
H 2.961220 0.007174 0.554801
H -2.786093 -0.484768 -0.650384
H 3.890150 -1.836500 1.693150
H 3.076101 -3.442109 1.465064
H -5.855659 1.031543 -1.569989
H -4.865378 -0.466574 -1.811341
H 4.179580 3.489963 0.488246
H 2.569722 4.143418 0.983172
H 2.958846 3.926661 -0.770512
H 6.466138 -1.967945 -2.084668
H 6.808102 -0.308464 -1.604089
H -5.935722 -2.497658 2.142570
H -4.570775 -3.530751 1.722650


