%chk=000294800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294800

0 1
S -1.986618 0.968692 -1.249070
O -2.527349 1.340106 -2.543400
O -0.618586 0.459850 -1.212481
O -0.244799 -0.526364 1.716298
O 1.729551 -0.309300 2.843443
O 6.876150 1.270405 -1.020592
N -3.064047 -0.245462 -0.645910
N -0.510350 -1.778474 1.153586
N 1.667177 -0.020892 0.503969
C -3.566365 -1.200653 -1.667750
C -2.544397 -2.269235 -2.094519
C -2.806118 -0.834040 0.684232
C -2.507691 -3.427770 -1.140062
C -2.098023 -3.251573 0.196955
C -1.722666 -1.904796 0.703386
C -2.167140 2.256867 -0.131034
C -2.874991 -4.709204 -1.575649
C -2.045563 -4.347882 1.070206
C -2.830699 -5.797137 -0.699639
C -2.415288 -5.618601 0.622901
C -1.308063 2.381798 0.968708
C -3.173757 3.209621 -0.335433
C -1.458221 3.439303 1.862172
C -3.329608 4.271480 0.554873
C -2.472578 4.394405 1.662384
C -2.622520 5.527599 2.619136
C 1.199369 -0.325579 1.763432
C 3.033381 0.294871 0.197978
C 3.328142 0.630721 -1.145137
C 4.043413 0.282319 1.169716
C 4.627999 0.949141 -1.504841
C 5.357287 0.602640 0.813431
C 5.637145 0.931506 -0.515948
C 7.996947 1.270578 -0.105132
H -3.887052 -0.605840 -2.559953
H -4.486886 -1.688029 -1.272329
H -2.784017 -2.608740 -3.123360
H -1.522534 -1.830162 -2.180008
H -3.759750 -1.283310 1.060033
H -2.554134 -0.020873 1.407843
H -3.193186 -4.861129 -2.605892
H -1.705645 -4.207061 2.097572
H -3.117639 -6.787572 -1.051206
H -2.372994 -6.467410 1.303115
H -0.511296 1.644746 1.130639
H -3.838821 3.127113 -1.203434
H -0.786174 3.527698 2.715541
H -4.114088 5.007479 0.387313
H -1.761094 6.211967 2.558976
H -2.676163 5.176341 3.660961
H -3.522623 6.130427 2.437648
H 0.993655 -0.054773 -0.298386
H 2.534595 0.640177 -1.895743
H 3.813641 0.022937 2.208846
H 4.888067 1.210921 -2.529061
H 6.133059 0.589034 1.572785
H 8.155601 0.268327 0.303132
H 8.824723 1.561318 -0.765068
H 7.844833 2.013577 0.682824


%chk=000294800-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294800

0 1
S -1.969045 0.882878 -1.219332
O -2.589597 1.265389 -2.673007
O -0.425182 0.330556 -1.136087
O -0.267665 -0.737290 1.937921
O 1.751028 -0.415893 3.103874
O 6.810045 1.329231 -1.003853
N -3.248560 -0.311873 -0.459230
N -0.477468 -1.996821 1.165697
N 1.634493 -0.134764 0.750848
C -3.831874 -1.176986 -1.520798
C -2.928471 -2.290349 -2.109204
C -2.756741 -0.961428 0.786682
C -2.674227 -3.498637 -1.218516
C -2.039277 -3.387794 0.056044
C -1.697807 -2.064100 0.664557
C -2.129852 2.369997 -0.079463
C -2.996656 -4.791836 -1.697964
C -1.721826 -4.560898 0.791490
C -2.697699 -5.955597 -0.954266
C -2.047083 -5.839944 0.293816
C -1.246100 2.497266 1.004208
C -3.118016 3.316101 -0.393305
C -1.375793 3.640582 1.821276
C -3.222236 4.451908 0.439830
C -2.360303 4.629928 1.554452
C -2.469446 5.860205 2.435485
C 1.167686 -0.442008 2.000362
C 2.968129 0.223396 0.394063
C 3.204818 0.561639 -0.967520
C 4.039287 0.256579 1.319148
C 4.491259 0.922652 -1.395195
C 5.334443 0.619598 0.886900
C 5.565180 0.953220 -0.469469
C 7.949445 1.369826 -0.086126
H -4.143480 -0.497474 -2.333463
H -4.747780 -1.608804 -1.070969
H -3.403789 -2.631407 -3.047535
H -1.962977 -1.830025 -2.403617
H -3.662597 -1.398873 1.251199
H -2.386650 -0.175714 1.464963
H -3.476677 -4.887197 -2.679338
H -1.221626 -4.451775 1.758769
H -2.963165 -6.941857 -1.350529
H -1.798270 -6.733718 0.875663
H -0.480216 1.742319 1.202487
H -3.764909 3.178847 -1.265253
H -0.700659 3.762767 2.675711
H -3.981766 5.209487 0.217344
H -1.582281 6.510491 2.316652
H -2.527582 5.584282 3.503999
H -3.360737 6.461460 2.189455
H 0.925762 -0.105156 -0.006046
H 2.374609 0.542071 -1.683611
H 3.857492 0.005302 2.366546
H 4.687762 1.185113 -2.438817
H 6.146978 0.637441 1.619301
H 8.149445 0.372969 0.353718
H 8.805450 1.680948 -0.702937
H 7.787977 2.105874 0.725986


