%chk=000292093.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292093

0 1
S 4.097600 -1.215579 -1.160892
O 5.198651 -2.133555 -0.947917
O 3.477124 -1.090122 -2.458450
O -3.164104 -1.966866 1.422126
O -1.877043 2.066622 -0.350385
N 2.917265 -1.783361 -0.030886
N -2.449150 -0.010505 0.441432
C 1.565814 -1.365908 0.045923
C 4.513565 0.340405 -0.563575
C -1.075569 -0.485501 0.308390
C 0.944779 -0.675382 -1.014093
C 0.840367 -1.639465 1.228363
C -0.368966 -0.234672 -0.879828
C -0.471997 -1.196327 1.359723
C 5.660510 0.496298 0.224870
C 3.722636 1.456383 -0.865217
C 5.215795 2.872605 0.421237
C 6.012665 1.752552 0.716444
C 4.067474 2.714979 -0.375944
C -3.456490 -0.988708 0.772876
C -4.830959 -0.740491 0.239447
C -2.683726 1.400862 0.259888
C 5.577920 4.222858 0.940249
C -5.027785 -0.465264 -1.120830
C -5.926716 -0.867272 1.104864
C -3.913492 1.974940 0.891049
C -6.325987 -0.297271 -1.609773
C -7.221394 -0.690414 0.610088
C -7.420740 -0.405129 -0.745120
H 3.187257 -2.528418 0.624822
H 1.462829 -0.518561 -1.966733
H 1.302395 -2.193759 2.041752
H -0.842684 0.318635 -1.693796
H -1.036973 -1.417448 2.268605
H 6.290873 -0.372379 0.452040
H 2.829177 1.347695 -1.491141
H 6.906538 1.863990 1.327333
H 3.444655 3.577031 -0.611055
H 4.756580 4.661304 1.527768
H 6.465018 4.212984 1.587744
H 5.789647 4.922539 0.116730
H -4.173009 -0.390676 -1.795704
H -5.765728 -1.114500 2.155709
H -4.175443 1.514998 1.852503
H -4.791218 1.886289 0.230719
H -3.768666 3.053766 1.072694
H -6.484546 -0.087537 -2.667425
H -8.076162 -0.785052 1.279170
H -8.432288 -0.273213 -1.129893


%chk=000292093-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292093

0 1
S 4.038183 -1.418272 -1.572765
O 5.580062 -1.931182 -1.552677
O 3.119449 -1.426887 -2.909778
O -3.109459 -1.975980 1.456610
O -0.762638 1.932753 0.554278
N 3.074592 -2.615158 -0.284693
N -1.924506 -0.084802 0.726026
C 1.805562 -2.075308 0.060086
C 3.970945 0.308231 -0.805658
C -0.680074 -0.820866 0.536961
C 0.773128 -2.138975 -0.919150
C 1.550411 -1.431466 1.305895
C -0.457312 -1.500568 -0.683483
C 0.306398 -0.823692 1.548071
C 5.134702 0.796299 -0.188778
C 2.756733 1.017780 -0.839895
C 3.862080 2.822067 0.424965
C 5.068382 2.071151 0.416631
C 2.709894 2.275839 -0.202185
C -3.136563 -0.868781 0.856599
C -4.367612 -0.361833 0.171228
C -1.832029 1.335347 0.861186
C 3.803981 4.191736 1.075475
C -4.298648 0.433859 -1.003065
C -5.631805 -0.786048 0.659656
C -3.012409 2.090095 1.460656
C -5.483027 0.812212 -1.670459
C -6.813161 -0.392574 0.000452
C -6.741437 0.408568 -1.165435
H 3.743005 -2.655165 0.510025
H 0.970518 -2.660787 -1.858861
H 2.338262 -1.388703 2.067815
H -1.240162 -1.516288 -1.449359
H 0.112454 -0.316366 2.497914
H 6.057446 0.206720 -0.199609
H 1.872532 0.611502 -1.338576
H 5.965567 2.484539 0.891582
H 1.758117 2.817691 -0.181801
H 2.865948 4.327003 1.642520
H 4.650990 4.354337 1.763579
H 3.838227 4.991009 0.310309
H -3.324222 0.729851 -1.407323
H -5.664132 -1.429426 1.545201
H -3.688619 1.456033 2.053485
H -3.604161 2.575027 0.665378
H -2.596860 2.887522 2.098481
H -5.425499 1.412992 -2.584314
H -7.786918 -0.713567 0.385271
H -7.660016 0.706933 -1.682569


