%chk=000292427.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292427

0 1
S 3.661434 1.846303 0.898866
O -1.651431 -1.035306 0.985302
O 2.225337 -1.661116 -1.763173
O 2.317939 -3.284710 -0.226143
N -0.044717 -0.720631 -0.593042
N -1.731238 1.325262 -1.589199
C -3.772100 0.214294 -0.530671
C -2.335485 0.050163 -1.110246
C 1.017638 -1.250849 0.278558
C -1.353904 -0.589618 -0.109691
C 1.882029 -0.157639 0.942077
C -4.396730 -1.159746 -0.279120
C -3.787332 1.061631 0.742448
C 2.500678 0.811639 -0.052903
C 1.898897 -2.198932 -0.537101
C 4.409448 2.863862 -0.392283
H -4.379176 0.738460 -1.312719
H -2.398388 -0.648848 -1.992430
H 0.531442 -1.868723 1.100615
H 1.243245 0.392839 1.669505
H 2.667530 -0.652305 1.556854
H 0.260031 -0.221242 -1.433581
H -3.829405 -1.715267 0.486278
H -5.423059 -1.068132 0.092882
H -4.427259 -1.775492 -1.182287
H -4.807768 1.184919 1.122739
H -3.208161 0.574546 1.544946
H -3.371782 2.060469 0.590656
H 3.033170 0.279451 -0.866427
H 1.734293 1.448423 -0.532796
H -1.747283 2.028453 -0.851939
H -2.269115 1.700275 -2.366759
H 2.783836 -2.275678 -2.312161
H 3.666965 3.476235 -0.913966
H 5.129038 3.538975 0.091564
H 4.952186 2.259934 -1.126850


%chk=000292427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292427

0 1
S 2.858524 1.941137 1.555060
O -1.520257 -1.454801 0.942153
O 1.958272 -1.674432 -2.392986
O 3.172733 -2.737971 -0.724160
N -0.055738 -1.006862 -0.811336
N -1.812664 0.178339 -2.359430
C -3.468775 0.418212 -0.420570
C -2.422050 -0.477600 -1.169028
C 1.104071 -1.552017 -0.109449
C -1.303310 -1.015188 -0.233439
C 1.740174 -0.537967 0.900396
C -4.396441 -0.405083 0.504414
C -2.797044 1.577647 0.354437
C 2.310086 0.715074 0.218753
C 2.175007 -2.068578 -1.062328
C 3.548854 3.285509 0.433266
H -4.095218 0.857738 -1.227379
H -2.958925 -1.378015 -1.531096
H 0.761071 -2.411634 0.500752
H 0.939973 -0.262315 1.610408
H 2.533690 -1.060240 1.465004
H -0.024503 -0.669969 -1.786416
H -3.810511 -0.879275 1.308374
H -5.168344 0.246660 0.955059
H -4.915157 -1.205165 -0.058280
H -3.562803 2.264054 0.759167
H -2.209257 1.185164 1.203119
H -2.121467 2.182139 -0.283789
H 3.192761 0.473679 -0.401022
H 1.546564 1.207542 -0.409109
H -1.636569 1.179978 -2.213574
H -2.335990 0.020121 -3.225900
H 2.693994 -2.027175 -2.963261
H 2.758291 3.684637 -0.222888
H 3.918307 4.086713 1.092190
H 4.383454 2.891841 -0.169310


