%chk=000293102.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293102

0 1
S 0.883304 1.376429 2.221859
O 2.203795 1.586028 2.779276
O -0.235166 1.163927 3.116950
O 3.884171 -1.478632 -0.366666
O 3.130371 0.637329 -0.648623
O -3.625503 -4.256917 0.526373
O -4.243637 -2.909871 -1.040063
N 1.070382 -0.070135 1.268188
N -3.478308 -3.252422 -0.154489
C -0.067608 -0.881383 0.910027
C -0.571723 -0.774379 -0.437328
C -0.661447 -1.738306 1.832675
C -1.706950 -1.540978 -0.829022
C 2.377513 -0.747715 1.264994
C -2.296879 -2.409190 0.149426
C -1.787568 -2.506448 1.428453
C 0.481027 2.581598 1.070013
C 0.039426 0.088666 -1.403354
C -0.194179 -1.857916 3.242509
C -2.192217 -1.424272 -2.169533
C -0.448674 0.179884 -2.681598
C -1.581703 -0.588636 -3.069952
C 3.124883 -0.393661 -0.016726
C -0.807895 3.132208 1.068686
C 1.435387 3.024562 0.147099
C -1.140034 4.127749 0.148189
C 1.101972 4.022433 -0.774289
C -0.183193 4.573136 -0.772606
C 4.708477 -1.396396 -1.575689
C 3.838195 -1.599606 -2.796970
H 3.013096 -0.413345 2.132323
H 2.282728 -1.857452 1.350521
H -2.251653 -3.187431 2.155448
H 0.913719 0.679756 -1.107207
H -0.428680 -0.924061 3.800544
H -0.676792 -2.678692 3.788553
H 0.888800 -2.013815 3.321551
H -3.072126 -2.003864 -2.471787
H 0.019932 0.838003 -3.412391
H -1.955875 -0.501258 -4.090258
H -1.555510 2.784242 1.792228
H 2.444086 2.585353 0.131388
H -2.141505 4.556347 0.146143
H 1.846080 4.366810 -1.491855
H -0.443067 5.352137 -1.491193
H 5.416782 -2.226617 -1.398267
H 5.231389 -0.423853 -1.578131
H 3.144500 -0.757682 -2.938807
H 3.227005 -2.508246 -2.710887
H 4.440472 -1.688820 -3.709029


%chk=000293102-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293102

0 1
S 0.788126 1.360650 2.165258
O 2.263582 1.584903 2.830997
O -0.519825 1.134580 3.111187
O 4.136455 -1.589508 -0.247142
O 3.241958 0.483824 -0.841742
O -3.799875 -4.294768 0.794567
O -4.563203 -2.937256 -0.859660
N 1.056420 -0.139221 0.955395
N -3.673070 -3.266460 0.018773
C -0.113992 -0.935821 0.738001
C -0.778678 -0.776700 -0.543683
C -0.615129 -1.834391 1.709499
C -1.991275 -1.518735 -0.850471
C 2.376952 -0.749640 1.135605
C -2.452851 -2.428440 0.171822
C -1.783683 -2.581075 1.388214
C 0.386755 2.779755 0.989147
C -0.229433 0.105313 -1.530985
C -0.002389 -2.027311 3.082110
C -2.601528 -1.332726 -2.135858
C -0.847352 0.263486 -2.771339
C -2.039053 -0.460452 -3.071887
C 3.259890 -0.524013 -0.098565
C -0.870673 3.384945 1.136905
C 1.361015 3.178921 0.059300
C -1.167368 4.477416 0.289083
C 1.039610 4.274312 -0.775284
C -0.215364 4.919673 -0.658943
C 5.125385 -1.504185 -1.373755
C 4.513978 -2.054315 -2.664191
H 2.894321 -0.249694 1.988141
H 2.322095 -1.829649 1.356257
H -2.190210 -3.290100 2.115483
H 0.693862 0.636451 -1.284810
H -0.703417 -1.674689 3.859173
H 0.200889 -3.097307 3.273188
H 0.930601 -1.462633 3.222158
H -3.519713 -1.870555 -2.370178
H -0.415298 0.939714 -3.516594
H -2.522306 -0.334158 -4.046828
H -1.579493 3.016003 1.884824
H 2.312807 2.646669 -0.034123
H -2.137505 4.977638 0.373221
H 1.769672 4.616611 -1.515869
H -0.452043 5.767963 -1.310249
H 5.970438 -2.114345 -1.018218
H 5.433301 -0.449980 -1.486945
H 3.673412 -1.425113 -3.001531
H 4.153132 -3.087112 -2.520855
H 5.279667 -2.063877 -3.461903


