%chk=000201649.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201649

0 1
S -8.865791 -1.497482 -0.521136
S 8.866549 1.497656 0.523993
O -6.322569 2.761814 -0.025633
O 6.324040 -2.762185 0.029527
N -3.771323 1.117125 0.594893
N 3.772536 -1.118076 -0.591479
N -6.288915 -1.379352 0.068632
N 6.289715 1.378950 -0.065842
N -3.839575 -1.173636 0.624692
N 3.840415 1.172690 -0.621880
N -7.422671 0.737316 -0.234743
N 7.423807 -0.737453 0.238128
C -0.746751 0.034725 -0.163831
C 0.747782 -0.036043 0.166912
C -1.597406 -0.093205 1.109501
C 1.598428 0.091755 -1.106436
C -3.048568 -0.062988 0.783931
C 3.049592 0.061871 -0.780842
C -5.091905 0.740096 0.298972
C 5.093052 -0.740754 -0.295639
C -5.107343 -0.680602 0.324755
C 5.108259 0.679940 -0.321796
C -6.252241 1.552010 0.016738
C 6.253514 -1.552403 -0.013163
C -7.460148 -0.662697 -0.214397
C 7.461056 0.662561 0.217412
C -6.306512 -2.863127 0.099996
C 6.307067 2.862720 -0.097588
C -8.694133 1.452126 -0.539384
C 8.695377 -1.451976 0.542993
H -0.978478 0.985102 -0.684070
H -1.022281 -0.773830 -0.873537
H 0.979498 -0.986378 0.687234
H 1.023322 0.772571 0.876547
H -1.337281 0.702333 1.839727
H -1.364451 -1.056121 1.626575
H 1.365309 1.054510 -1.623739
H 1.338455 -0.703995 -1.836487
H -3.456204 2.071459 0.647925
H 3.457575 -2.072474 -0.644286
H -7.021592 -3.226951 0.863167
H -5.301847 -3.255720 0.342036
H -6.618647 -3.268538 -0.881829
H 6.618976 3.268435 0.884182
H 5.302377 3.255081 -0.339896
H 7.022210 3.226468 -0.860738
H -9.471407 1.205819 0.207371
H -9.072191 1.171373 -1.539683
H -8.523639 2.545869 -0.521850
H 8.525054 -2.545750 0.525772
H 9.073379 -1.170874 1.543215
H 9.472620 -1.205762 -0.203825


%chk=000201649-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201649

0 1
S -8.743848 -1.717291 -0.639476
S 8.744766 1.716656 0.642991
O -6.763802 2.913716 0.325937
O 6.764868 -2.914289 -0.323018
N -3.999645 1.543661 0.611561
N 4.000681 -1.544276 -0.608549
N -6.120787 -1.203892 -0.123207
N 6.121765 1.203275 0.126395
N -3.729532 -0.696508 0.353464
N 3.730532 0.695880 -0.350376
N -7.580598 0.713748 -0.111121
N 7.581629 -0.714324 0.114116
C -0.748825 -0.040528 -0.175714
C 0.749847 0.039890 0.178741
C -1.635022 0.634536 0.903494
C 1.636046 -0.635175 -0.900464
C -3.101677 0.483942 0.622604
C 3.102700 -0.484568 -0.619575
C -5.265542 1.024795 0.326558
C 5.266597 -1.025377 -0.323687
C -5.064815 -0.353050 0.172542
C 5.065824 0.352439 -0.169478
C -6.538397 1.671881 0.196246
C 6.539495 -1.672421 -0.193591
C -7.420672 -0.684817 -0.274041
C 7.421654 0.684212 0.277238
C -5.874326 -2.653419 -0.275464
C 5.875253 2.652772 0.278862
C -8.945628 1.270026 -0.266157
C 8.946641 -1.270606 0.269297
H -0.930280 0.444826 -1.155345
H -1.068760 -1.094475 -0.279130
H 0.931302 -0.445463 1.158373
H 1.069783 1.093837 0.282156
H -1.379400 1.708529 0.985972
H -1.408770 0.177262 1.887316
H 1.409786 -0.177909 -1.884290
H 1.380432 -1.709171 -0.982934
H -3.799735 2.529733 0.780365
H 3.800786 -2.530346 -0.777383
H -6.477630 -3.215531 0.456143
H -4.800081 -2.823842 -0.110239
H -6.173328 -2.981342 -1.284625
H 6.174219 2.980553 1.288081
H 4.801007 2.823184 0.113636
H 6.478558 3.215011 -0.452646
H -9.625591 0.803583 0.465217
H -9.328209 1.050031 -1.276180
H -8.875445 2.355055 -0.100935
H 8.876504 -2.355609 0.103881
H 9.329046 -1.050770 1.279420
H 9.626720 -0.804034 -0.461886


