%chk=000267798.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267798

0 1
S 7.050666 -0.777382 -0.234452
O 7.668569 -1.543502 0.827805
O 7.374400 -1.020418 -1.624128
O -5.907559 -2.531742 0.668865
O 0.665430 2.860446 -0.459732
O -1.060130 4.099943 -0.780254
O -6.230373 -0.346436 0.056811
N 0.457833 0.370820 0.143388
N -3.712047 0.976766 -0.114028
N -0.559678 3.006081 -0.513817
N -4.072979 -1.316288 0.391446
N 7.458459 0.862754 0.068708
N -3.480119 3.208600 -0.610820
C 1.056875 -0.949765 0.459562
C 2.557264 -0.888979 0.287916
C -0.892020 0.573301 0.055231
C 5.331740 -0.817667 -0.035463
C 3.108755 -0.599726 -0.968970
C 3.395666 -1.144662 1.382108
C -1.408321 1.894037 -0.267037
C 4.496588 -0.563574 -1.127349
C 4.783153 -1.110845 1.216077
C -1.797811 -0.486975 0.273499
C -3.182017 -0.242306 0.175972
C -2.850015 2.032247 -0.331696
C -5.490693 -1.251184 0.327523
C -7.350558 -2.787570 0.615420
C -7.805207 -2.907864 -0.821886
H 0.779226 -1.245563 1.501133
H 0.637046 -1.737722 -0.216048
H 1.123002 1.158426 -0.001398
H 2.459342 -0.401728 -1.822758
H 2.975039 -1.366620 2.362284
H 4.925677 -0.347018 -2.113108
H 5.438219 -1.323638 2.069569
H -1.438814 -1.478003 0.514667
H -3.664065 -2.228867 0.631787
H 7.784933 1.433439 -0.708035
H 8.006932 1.080571 0.897622
H -4.494052 3.241516 -0.644791
H -2.960114 4.068868 -0.796498
H -7.398848 -3.740909 1.174697
H -7.867852 -1.979823 1.163562
H -8.846031 -3.248253 -0.886656
H -7.745403 -1.939554 -1.343685
H -7.186707 -3.617432 -1.386744


%chk=000267798-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267798

0 1
S 7.128682 -0.914331 -0.419035
O 7.723689 -2.176678 0.420786
O 7.346573 -0.717457 -2.021588
O -5.872187 -2.551200 0.704254
O 0.665862 3.004988 -0.472934
O -1.148292 4.261346 -1.004341
O -6.333786 -0.338649 0.027476
N 0.406817 0.531337 0.219960
N -3.784795 1.068611 -0.237642
N -0.643175 3.115668 -0.613207
N -4.122191 -1.181249 0.416680
N 7.779249 0.577723 0.436367
N -3.551968 3.268014 -0.870525
C 1.024800 -0.735914 0.616837
C 2.529425 -0.727543 0.375607
C -0.945274 0.713463 0.080314
C 5.276827 -0.820649 -0.089933
C 3.071206 -0.175696 -0.813836
C 3.395220 -1.331817 1.320930
C -1.492477 2.002118 -0.341589
C 4.460778 -0.216226 -1.057878
C 4.787588 -1.388303 1.095402
C -1.862870 -0.338153 0.337386
C -3.251169 -0.108320 0.159613
C -2.938942 2.113257 -0.482616
C -5.522146 -1.229500 0.337342
C -7.328528 -2.866678 0.648910
C -7.744882 -3.285276 -0.763786
H 0.817954 -0.960090 1.684684
H 0.572500 -1.561903 0.026308
H 0.975278 1.385463 0.069248
H 2.408940 0.282693 -1.555887
H 2.983764 -1.759588 2.242304
H 4.894907 0.182674 -1.980140
H 5.468613 -1.868498 1.804737
H -1.507038 -1.309546 0.686294
H -3.697844 -2.065798 0.704161
H 8.053457 1.277786 -0.272452
H 8.562519 0.276018 1.039502
H -4.569487 3.245977 -0.937219
H -2.971092 4.088692 -1.075496
H -7.443141 -3.686393 1.376155
H -7.892146 -1.978869 0.986051
H -8.807191 -3.592717 -0.763350
H -7.631126 -2.445460 -1.469666
H -7.139500 -4.137528 -1.117887


