%chk=000118873.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118873

0 1
S 0.651127 -1.466227 0.533209
S -3.089726 0.446840 -2.092982
O 0.438458 1.044049 1.364661
N 4.533089 -0.326891 0.193131
N -1.498840 0.128180 0.493273
N -3.601104 2.806489 -1.031310
C 4.853576 0.996272 0.820308
C 5.494084 -0.831393 -0.835433
C 3.093325 -0.446595 -0.187906
C 4.820438 2.194414 -0.142728
C 6.210209 0.911021 1.535084
C 5.305746 -0.252537 -2.248505
C 5.404228 -2.366435 -0.870409
C 2.373279 -1.100906 0.994126
C -0.142098 0.110615 0.871517
C -2.177697 -1.062933 0.030107
C -2.178369 1.389486 0.346040
C -2.916055 -1.031222 -1.164377
C -2.954361 1.645329 -0.808964
C -2.137178 -2.239620 0.797619
C -2.075968 2.403735 1.311975
C -3.551212 -2.180804 -1.636501
C -2.764201 -3.390126 0.312095
C -3.455600 -3.368140 -0.904501
C -2.739762 3.612640 1.087272
C -3.485622 3.782483 -0.091185
H 4.060922 1.160311 1.603842
H 6.524110 -0.550859 -0.481104
H 2.630954 0.537995 -0.425917
H 2.979575 -1.070272 -1.102500
H 5.109567 3.118669 0.367124
H 5.503618 2.056953 -0.990913
H 3.816325 2.349902 -0.552552
H 6.258702 0.021178 2.175597
H 6.371974 1.788395 2.169010
H 7.046841 0.852255 0.830181
H 6.055033 -0.652099 -2.938878
H 4.322789 -0.489336 -2.667312
H 5.406558 0.841105 -2.244794
H 5.490613 -2.782327 0.141073
H 6.206440 -2.792052 -1.480140
H 4.452220 -2.716322 -1.282222
H 2.846772 -2.064491 1.272472
H 2.408735 -0.455294 1.895434
H -1.637351 -2.262674 1.767643
H -1.466421 2.254392 2.207826
H -4.122566 -2.156271 -2.566574
H -2.717977 -4.311497 0.893579
H -3.934195 -4.273679 -1.275291
H -2.674538 4.417411 1.817954
H -4.014366 4.718281 -0.306951


%chk=000118873-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118873

0 1
S 0.664960 -1.799977 0.268022
S -3.098613 0.533540 -2.113269
O 0.619755 0.810445 1.127601
N 4.516959 -0.189649 -0.074577
N -1.458249 -0.016638 0.419681
N -3.379218 2.930306 -0.843109
C 4.591878 1.138453 0.595402
C 5.687407 -0.690471 -0.839213
C 3.173045 -0.611617 -0.495564
C 4.838424 2.331609 -0.372797
C 5.624410 1.143870 1.747749
C 5.650401 -0.389194 -2.367584
C 5.895266 -2.206800 -0.597819
C 2.467824 -1.342595 0.669798
C -0.077073 -0.136837 0.682590
C -2.299880 -1.129148 0.029557
C -2.057256 1.296277 0.406697
C -3.112594 -1.012904 -1.124587
C -2.830827 1.703781 -0.715063
C -2.384451 -2.292731 0.831147
C -1.886517 2.222796 1.459675
C -3.952727 -2.079614 -1.513444
C -3.205269 -3.366875 0.430312
C -3.981738 -3.265472 -0.747956
C -2.455318 3.510083 1.334944
C -3.180140 3.827731 0.165745
H 3.591880 1.289776 1.049169
H 6.568714 -0.166960 -0.420388
H 2.545159 0.249597 -0.809007
H 3.236504 -1.291517 -1.364218
H 4.752488 3.291901 0.169641
H 5.851036 2.285172 -0.815305
H 4.097666 2.336991 -1.193412
H 5.417057 0.319146 2.451713
H 5.582041 2.101671 2.298977
H 6.658229 1.024786 1.372063
H 6.593014 -0.717038 -2.845266
H 4.823512 -0.930380 -2.864685
H 5.519836 0.688712 -2.561788
H 5.999739 -2.412394 0.481666
H 6.799919 -2.570335 -1.120644
H 5.034175 -2.788844 -0.978430
H 2.960911 -2.299004 0.909339
H 2.430455 -0.704779 1.567239
H -1.793241 -2.356576 1.749169
H -1.296742 1.945982 2.335711
H -4.585285 -1.974418 -2.400763
H -3.247849 -4.273061 1.042902
H -4.625627 -4.095089 -1.057823
H -2.331340 4.255751 2.125525
H -3.618606 4.819942 0.016880


