%chk=000227727.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227727

0 1
S 1.808348 -1.335161 0.900435
S -1.780812 -0.149343 -1.301193
S 2.958597 -0.378656 -1.752133
S -2.956365 -1.077457 1.360487
O 4.284529 -0.672554 0.386044
O -4.253570 -0.789540 -0.786178
N 5.938294 -0.753438 1.903057
N -5.943024 -0.680199 -2.424249
C 4.532330 -1.032772 1.852835
C -4.530112 -0.453336 -2.239372
C 0.321670 -1.429422 -0.146316
C -0.291146 -0.056946 -0.258543
C 6.341730 0.425510 2.704325
C 6.832832 -1.927364 2.031303
C -6.806820 0.243014 -1.634642
C -6.347637 -2.105908 -2.264438
C 3.113664 -0.772829 -0.172928
C -3.079557 -0.691803 -0.222661
H 3.882363 -0.351179 2.432329
H 4.245838 -2.097180 1.942527
H -4.251051 0.609765 -2.373690
H -3.907888 -1.142762 -2.842186
H -0.354917 -2.155507 0.361522
H 0.578168 -1.862356 -1.139251
H 0.386018 0.666782 -0.771314
H -0.541018 0.379795 0.733920
H 5.731941 1.299073 2.412450
H 7.389860 0.681878 2.467947
H 6.258194 0.277686 3.792088
H 6.563208 -2.683711 1.272593
H 6.816034 -2.396813 3.026944
H 7.869860 -1.617806 1.810312
H -6.548922 1.287491 -1.873093
H -6.720687 0.106001 -0.543403
H -7.859111 0.089840 -1.924235
H -5.761624 -2.737317 -2.951576
H -7.408542 -2.213843 -2.542931
H -6.213874 -2.492534 -1.239986


%chk=000227727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227727

0 1
S 1.848689 -1.476134 1.146819
S -1.832631 -0.105628 -1.150678
S 2.924990 -0.482844 -1.651498
S -2.912498 -1.096430 1.646762
O 4.387496 -0.734827 0.565922
O -4.373265 -0.842168 -0.571050
N 6.010793 -0.913122 2.440512
N -5.995516 -0.664385 -2.441763
C 4.672239 -1.127237 2.172509
C -4.655291 -0.453801 -2.171684
C 0.329206 -1.484955 0.022533
C -0.313367 -0.097824 -0.025613
C 6.491886 0.474592 2.586003
C 7.000548 -1.873310 1.914267
C -6.981717 0.298993 -1.914658
C -6.479265 -2.051812 -2.581186
C 3.177839 -0.856685 -0.018645
C -3.162376 -0.721907 0.013903
H 3.990532 -0.448424 2.705971
H 4.367116 -2.183355 2.216136
H -4.348156 0.601697 -2.221328
H -3.976434 -1.134250 -2.707142
H -0.348276 -2.228006 0.473487
H 0.679024 -1.808778 -0.971982
H 0.364326 0.645134 -0.476447
H -0.663484 0.226036 0.968755
H 5.716659 1.088633 3.074279
H 6.733919 0.932632 1.605516
H 7.397355 0.488054 3.218284
H 6.577625 -2.891775 1.931857
H 7.904065 -1.859213 2.549362
H 7.292430 -1.634944 0.871403
H -6.557453 1.316837 -1.938278
H -7.269893 0.065642 -0.869551
H -7.887879 0.283775 -2.545952
H -5.707937 -2.667585 -3.073577
H -7.388628 -2.065214 -3.207861
H -6.715871 -2.508313 -1.598586


