%chk=000291507.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291507

0 1
S -2.180026 1.253972 -0.531345
O 3.866689 -0.992164 -0.977231
O -2.151228 1.781223 -1.878803
O -1.653451 2.084810 0.546906
N 3.116165 1.219447 0.815534
N -1.339315 -0.235827 -0.529021
C 2.588215 2.503659 1.378959
C 4.527170 1.383371 0.353141
C 2.653210 3.641985 0.348901
C 4.643257 2.488921 -0.709085
C 4.078111 3.818367 -0.191601
C 2.230537 0.373897 0.157192
C 2.763614 -0.907416 -0.483194
C 0.878002 0.552687 0.161149
C 1.816661 -2.058868 -0.480167
C -0.086816 -0.448312 -0.262624
C 0.426531 -1.852240 -0.378446
C 2.326749 -3.356540 -0.604506
C -0.438383 -2.951193 -0.390380
C 1.456091 -4.452153 -0.606959
C 0.078717 -4.248498 -0.499535
C -3.787277 0.754803 -0.126450
C -4.269703 0.954638 1.170601
C -4.598807 0.161285 -1.097204
C -5.568369 0.555821 1.500075
C -5.898360 -0.239093 -0.768631
C -6.380557 -0.041961 0.529557
H 3.204915 2.744486 2.273255
H 1.543119 2.364504 1.742385
H 4.934439 0.423321 -0.040156
H 5.135631 1.637993 1.250320
H 2.294747 4.582127 0.808868
H 1.953319 3.432701 -0.486342
H 4.106554 2.180851 -1.628840
H 5.702311 2.609680 -1.004374
H 4.080452 4.569667 -1.004447
H 4.735047 4.224918 0.601122
H 0.444641 1.496792 0.533143
H 3.405365 -3.503700 -0.704199
H -1.518334 -2.789958 -0.322832
H 1.855467 -5.461839 -0.697696
H -0.601143 -5.101022 -0.505199
H -3.633560 1.430612 1.925944
H -4.224155 0.014678 -2.115585
H -5.946746 0.712158 2.508657
H -6.532523 -0.700459 -1.523601
H -7.393672 -0.353230 0.786042


%chk=000291507-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291507

0 1
S -2.057901 1.236912 0.033769
O 4.129610 -1.349895 0.230341
O -1.819924 2.068748 -1.352361
O -1.636673 1.940219 1.456734
N 3.134335 1.327613 0.706667
N -1.347724 -0.510779 -0.167454
C 2.567721 2.619623 1.179526
C 4.549099 1.496150 0.263105
C 2.523906 3.654891 0.027730
C 4.605954 2.508913 -0.912162
C 3.950022 3.860571 -0.540644
C 2.307112 0.282125 0.336460
C 2.887076 -1.100472 0.111164
C 0.917187 0.447053 0.253288
C 1.931998 -2.200647 -0.214156
C -0.007862 -0.612480 -0.038963
C 0.525962 -1.987831 -0.273322
C 2.456828 -3.497707 -0.451545
C -0.336187 -3.072037 -0.566673
C 1.595573 -4.571833 -0.743713
C 0.195421 -4.356980 -0.800437
C -3.877338 0.766051 0.145725
C -4.439823 0.617758 1.422689
C -4.596480 0.624431 -1.051264
C -5.814704 0.294359 1.498876
C -5.969778 0.299955 -0.954359
C -6.572536 0.131622 0.315009
H 3.246155 2.989310 1.974236
H 1.579607 2.463908 1.639150
H 4.970513 0.522262 -0.011148
H 5.123087 1.890205 1.125329
H 2.111590 4.607613 0.408868
H 1.838391 3.297834 -0.764441
H 4.091163 2.066862 -1.787838
H 5.665262 2.657101 -1.197257
H 3.918671 4.526244 -1.423208
H 4.573770 4.369783 0.223415
H 0.490318 1.438896 0.404671
H 3.541313 -3.632688 -0.395751
H -1.412575 -2.884369 -0.608788
H 2.006000 -5.570686 -0.925181
H -0.477191 -5.191209 -1.027283
H -3.827891 0.771719 2.317253
H -4.104572 0.782727 -2.016229
H -6.289573 0.172804 2.478029
H -6.564444 0.182337 -1.866249
H -7.637168 -0.118087 0.381688


