%chk=000273955.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273955

0 1
S -0.582152 -0.021662 0.060726
O -0.530079 1.273226 -0.592665
O -0.619037 -1.230670 -0.733022
N -1.948249 -0.035657 1.133587
C -2.728556 1.235888 1.175788
C -2.845304 -1.220326 0.993988
C -3.665375 1.404315 -0.032801
C -3.786873 -1.120122 -0.218460
C -4.586470 0.188560 -0.193837
C 0.732725 -0.116107 1.239917
C 2.068548 -0.090882 0.566337
C 2.457892 1.031048 -0.184183
C 2.946534 -1.176885 0.701920
C 3.716533 1.063185 -0.787043
C 4.205435 -1.136322 0.094919
C 4.594437 -0.017484 -0.646877
H -2.024322 2.095668 1.235453
H -3.317346 1.234615 2.120800
H -3.436675 -1.303334 1.933660
H -2.225078 -2.142015 0.920201
H -3.061879 1.554636 -0.953630
H -4.263516 2.326561 0.082380
H -4.471508 -1.987832 -0.233297
H -3.196290 -1.192431 -1.156537
H -5.322572 0.163143 0.632591
H -5.175243 0.285421 -1.125915
H 0.672809 0.721461 1.971431
H 0.624313 -1.019431 1.878943
H 1.767892 1.870046 -0.317367
H 2.650170 -2.055807 1.270258
H 4.012424 1.932971 -1.372533
H 4.882669 -1.982661 0.199388
H 5.574243 0.011284 -1.118821


%chk=000273955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273955

0 1
S -0.585719 0.023112 -0.004763
O -0.499512 1.411876 -0.863744
O -0.576340 -1.430464 -0.756852
N -2.083661 0.126748 1.231187
C -2.880138 1.366679 0.959403
C -2.883485 -1.139075 1.170110
C -3.854362 1.277587 -0.237878
C -3.854710 -1.250131 -0.027664
C -4.738155 0.013100 -0.143064
C 0.900750 0.027315 1.338950
C 2.217056 -0.008442 0.651613
C 2.873506 1.201302 0.296377
C 2.823308 -1.251256 0.321926
C 4.122379 1.167993 -0.357888
C 4.071746 -1.282185 -0.333341
C 4.725509 -0.073325 -0.671078
H -2.172900 2.202814 0.820839
H -3.440741 1.547606 1.900395
H -3.446966 -1.157758 2.126517
H -2.180964 -1.990640 1.176858
H -3.266416 1.263705 -1.175486
H -4.478339 2.191919 -0.258011
H -4.478950 -2.155204 0.102185
H -3.262738 -1.390216 -0.951995
H -5.399160 0.087020 0.746404
H -5.397942 -0.059976 -1.027516
H 0.670356 0.951782 1.887389
H 0.640969 -0.866940 1.923637
H 2.397052 2.161298 0.525184
H 2.307838 -2.186092 0.569588
H 4.622615 2.104032 -0.628526
H 4.532644 -2.243265 -0.585497
H 5.695570 -0.098520 -1.179962


