%chk=000210264.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210264

0 1
S -6.840140 0.274732 1.256686
S -7.622043 -0.929073 -0.216157
O 3.069641 -0.350658 -0.324708
O -6.479515 -2.156029 -0.127689
O -8.842282 -1.511468 0.231416
O -7.455709 -0.308260 -1.484685
N -2.997997 0.570547 -0.044638
C 4.327809 -0.062305 -0.993469
C 5.172855 -1.315207 -0.720787
C 4.892551 1.259335 -0.450616
C 5.408466 -1.639509 0.758641
C 6.346891 1.517444 -0.866010
C 6.273379 -0.630962 1.529268
C 7.360198 1.327379 0.273170
C 7.504648 -0.120831 0.765068
C 1.939789 0.427732 -0.782373
C 0.749428 -0.229495 -0.080183
C -0.562595 0.468193 -0.445237
C -1.749403 -0.188504 0.278639
C -4.208586 -0.066383 0.562610
C -5.344748 0.949622 0.464638
H 4.133381 0.023942 -2.087531
H 6.145970 -1.207501 -1.241573
H 4.659395 -2.181088 -1.188227
H 4.802117 1.247368 0.658797
H 4.252113 2.095129 -0.785736
H 4.420394 -1.716298 1.261318
H 5.869661 -2.644207 0.826357
H 6.625893 0.871278 -1.720632
H 6.434841 2.555728 -1.243913
H 5.635165 0.231057 1.823431
H 6.595840 -1.096924 2.479900
H 8.350831 1.686067 -0.071847
H 7.088195 1.982441 1.123946
H 8.393231 -0.183606 1.423119
H 7.726043 -0.786279 -0.092013
H 1.868383 0.365939 -1.881432
H 2.081088 1.477743 -0.475022
H 0.918887 -0.208279 1.015675
H 0.717294 -1.304872 -0.347263
H -0.717657 0.440189 -1.541071
H -0.516332 1.543351 -0.173999
H -1.812635 -1.266122 0.013332
H -1.594364 -0.137372 1.380002
H -3.115884 0.625335 -1.063499
H -4.488775 -1.031591 0.076725
H -3.994994 -0.304981 1.630044
H -5.086996 1.886527 1.007250
H -5.552151 1.250998 -0.583444
H -6.808773 -3.070170 -0.109379


%chk=000210264-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210264

0 1
S -6.867996 0.488160 1.502387
S -8.010154 -0.557990 -0.436068
O 3.181453 -0.565794 -0.300567
O -7.758034 -2.325545 0.096911
O -9.604252 -0.313987 -0.561406
O -7.073984 -0.289263 -1.737523
N -3.003352 0.287741 0.048946
C 4.429898 -0.160978 -0.991857
C 5.427691 -1.308000 -0.747785
C 4.873078 1.263417 -0.559320
C 5.773630 -1.648049 0.720736
C 6.335930 1.649698 -0.929650
C 6.519874 -0.561903 1.543870
C 7.368419 1.551182 0.226068
C 7.693833 0.149048 0.807964
C 1.994413 0.203850 -0.681822
C 0.783148 -0.485425 -0.042340
C -0.541977 0.250507 -0.341338
C -1.742535 -0.409671 0.363950
C -4.216504 -0.153344 0.749888
C -5.318681 0.899947 0.541248
H 4.221506 -0.132236 -2.089283
H 6.354012 -1.089839 -1.313154
H 4.989817 -2.213423 -1.212304
H 4.723218 1.362254 0.531810
H 4.182364 1.989443 -1.031447
H 4.841163 -1.923938 1.248345
H 6.406880 -2.558972 0.699174
H 6.682880 1.046820 -1.793859
H 6.344930 2.701069 -1.279890
H 5.802893 0.200557 1.902334
H 6.909626 -1.054447 2.456964
H 8.317877 2.001005 -0.132045
H 7.016792 2.197169 1.058047
H 8.532008 0.285269 1.520520
H 8.088116 -0.507734 0.005334
H 1.896277 0.227661 -1.792500
H 2.069149 1.253793 -0.322971
H 0.950678 -0.535604 1.051341
H 0.735995 -1.529820 -0.406104
H -0.720160 0.262717 -1.437737
H -0.478111 1.307470 -0.016789
H -1.783569 -1.492525 0.089201
H -1.596580 -0.369045 1.461605
H -3.143869 0.444661 -0.957785
H -4.596259 -1.148559 0.419894
H -3.979009 -0.240430 1.827369
H -4.994221 1.908333 0.859758
H -5.608417 0.954796 -0.529187
H -8.437087 -2.879942 -0.392034


