%chk=000270166.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270166

0 1
S 3.986496 0.639240 0.824946
O 4.718328 1.472462 -0.119941
O 4.131664 0.902601 2.245331
O -3.958907 0.639913 -0.768852
O -6.260419 -1.549184 -1.703601
O -2.825175 -0.377020 0.946103
N 4.389197 -1.019188 0.604836
N -1.740609 0.877463 -0.736944
C 4.301185 -1.573095 -0.769765
C 5.467438 -1.561547 1.471654
C 5.293161 -0.982691 -1.787095
C 6.914976 -1.241795 1.058506
C 2.316750 0.681679 0.382171
C 5.077292 -1.574746 -3.174381
C 7.314126 0.207512 1.305220
C 1.355482 0.060299 1.187009
C 1.923195 1.366166 -0.774117
C -5.253351 0.116129 -0.261276
C -0.381386 0.788367 -0.324289
C 0.006165 0.103032 0.841364
C 0.581711 1.425684 -1.140283
C -5.882136 1.230506 0.579466
C -6.001588 -0.176983 -1.509904
C -5.514504 1.103294 2.051958
C -2.827884 0.296399 -0.059013
C -6.512039 0.552328 -2.554270
C -7.127914 -0.387800 -3.457270
C -6.957586 -1.633157 -2.909940
H 3.255348 -1.422231 -1.125881
H 4.441784 -2.676947 -0.710244
H 5.281467 -1.188239 2.510432
H 5.336967 -2.667714 1.512332
H 5.204741 0.126390 -1.822752
H 6.336130 -1.170884 -1.445056
H 7.066766 -1.491120 -0.016224
H 7.593138 -1.913396 1.622172
H 5.789979 -1.152516 -3.893664
H 5.213830 -2.662057 -3.181188
H 4.071304 -1.364471 -3.555033
H 7.002687 0.557784 2.298346
H 8.398389 0.341417 1.235184
H 6.858719 0.891162 0.570394
H 1.657907 -0.464244 2.100983
H 2.679075 1.864636 -1.396724
H -5.050960 -0.813512 0.328122
H -0.740346 -0.389557 1.474485
H 0.288954 1.961507 -2.039706
H -6.985601 1.215577 0.460961
H -5.551242 2.214454 0.183559
H -1.950933 1.406666 -1.591805
H -5.986309 0.229506 2.518049
H -4.428854 0.991926 2.194277
H -5.829950 1.986802 2.619081
H -6.469685 1.615736 -2.694932
H -7.618871 -0.131561 -4.376549
H -7.223301 -2.633680 -3.171341


%chk=000270166-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270166

0 1
S 4.036096 0.587183 0.941143
O 4.758500 1.767910 0.060893
O 4.158777 0.582986 2.567319
O -4.099300 0.806503 -0.631004
O -5.624180 -1.659419 -1.741638
O -2.972941 -0.441613 1.032461
N 4.487013 -1.132848 0.422114
N -1.853472 0.934848 -0.542518
C 4.492490 -1.359510 -1.041710
C 5.405601 -1.842833 1.344294
C 5.608890 -0.720669 -1.912818
C 6.936524 -1.695572 1.150676
C 2.216748 0.637410 0.467360
C 5.397619 -1.074506 -3.401192
C 7.458158 -0.254085 1.331758
C 1.294983 -0.082539 1.244972
C 1.833232 1.450897 -0.611153
C -5.433358 0.240669 -0.178789
C -0.494833 0.802580 -0.169174
C -0.074626 -0.005205 0.925598
C 0.464502 1.527816 -0.929902
C -6.249316 1.384939 0.448813
C -6.086047 -0.373241 -1.370815
C -5.570028 1.996677 1.690136
C -2.963095 0.347730 0.056953
C -7.070029 0.028953 -2.262729
C -7.238776 -1.034394 -3.230188
C -6.346239 -2.034837 -2.884510
H 3.508119 -1.029306 -1.434102
H 4.514758 -2.463012 -1.159265
H 5.134749 -1.507852 2.363896
H 5.121336 -2.912797 1.265767
H 5.593563 0.375207 -1.771680
H 6.601731 -1.074903 -1.582826
H 7.238340 -2.095156 0.163297
H 7.409800 -2.356005 1.906487
H 6.181295 -0.616841 -4.031018
H 5.429080 -2.168796 -3.566277
H 4.418683 -0.707597 -3.765160
H 7.181172 0.141765 2.325860
H 8.559259 -0.219998 1.241345
H 7.034323 0.434553 0.578492
H 1.635692 -0.684078 2.093331
H 2.587572 2.020997 -1.162656
H -5.194900 -0.532716 0.576502
H -0.817265 -0.553227 1.508161
H 0.138431 2.157790 -1.766162
H -7.239779 0.973488 0.724529
H -6.423128 2.169066 -0.312727
H -2.069828 1.533743 -1.342749
H -5.385475 1.230556 2.464665
H -4.599622 2.453298 1.428249
H -6.206028 2.784340 2.131601
H -7.612788 0.971679 -2.235298
H -7.932324 -1.051632 -4.068377
H -6.104856 -3.011093 -3.295333


