%chk=000217970.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217970

0 1
I -6.398909 -0.779226 -0.302143
S 2.406870 -0.127119 0.660019
O 0.095030 -3.141244 0.003740
O 5.127968 -2.636900 -1.488792
O 4.935765 -2.597388 0.744748
N 0.159396 1.501795 0.639125
N -0.094001 -0.861804 0.334043
C 0.902245 2.765401 0.839315
C 1.694715 3.176894 -0.421868
C -0.130888 3.848293 1.226434
C 0.776011 3.575574 -1.583188
C -1.028948 4.246693 0.048860
C -0.199881 4.683802 -1.165635
C 0.657872 0.340447 0.541686
C 2.124812 -1.913948 0.483394
C 0.631698 -2.086557 0.245462
C 2.933569 -2.460631 -0.678362
C -1.540946 -0.834817 0.192304
C -2.141776 -1.575532 -0.840340
C -2.320723 -0.087975 1.091032
C 4.390689 -2.560947 -0.330651
C -3.532496 -1.560332 -0.974641
C -3.710258 -0.073709 0.942794
C -4.298301 -0.807561 -0.086013
H 1.624702 2.644285 1.694263
H 2.372222 2.363554 -0.742055
H 2.350655 4.029913 -0.156932
H 0.414839 4.734433 1.603206
H -0.757072 3.485570 2.064572
H 0.205517 2.689371 -1.926784
H 1.383508 3.907182 -2.445402
H -1.714545 5.057420 0.355668
H -1.669820 3.384167 -0.228798
H 0.356256 5.611102 -0.932141
H -0.870365 4.932605 -2.009405
H 2.412924 -2.427321 1.443715
H 2.559993 -3.479820 -0.962542
H 2.801784 -1.853042 -1.606743
H -1.535236 -2.175890 -1.520549
H -1.853009 0.490384 1.889584
H -4.003222 -2.137856 -1.773381
H -4.319908 0.510128 1.635799
H 6.106062 -2.721794 -1.318197


%chk=000217970-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217970

0 1
I -6.300460 -0.654470 -0.829662
S 2.604843 -0.077080 0.641272
O 0.168850 -3.201419 0.155659
O 5.276621 -3.348310 -1.002886
O 4.914686 -2.694968 1.197822
N 0.286550 1.531454 0.312260
N 0.022137 -0.843068 0.235090
C 1.099392 2.764197 0.416992
C 1.315287 3.360888 -1.003673
C 0.360564 3.780833 1.325880
C -0.006966 3.854286 -1.636052
C -0.963085 4.268808 0.691681
C -0.724286 4.870463 -0.714453
C 0.794052 0.358003 0.371381
C 2.200407 -1.924527 0.606777
C 0.703624 -2.072359 0.308483
C 3.041108 -2.702055 -0.417999
C -1.407625 -0.791877 -0.005202
C -1.963720 -1.545784 -1.063045
C -2.239172 -0.006102 0.823834
C 4.473344 -2.889406 0.044580
C -3.355675 -1.513111 -1.297334
C -3.630337 0.034224 0.591090
C -4.178648 -0.719556 -0.469906
H 2.096498 2.539876 0.862711
H 1.802700 2.606821 -1.650774
H 2.019850 4.211704 -0.904027
H 1.037477 4.644535 1.486447
H 0.174398 3.323085 2.316053
H -0.672246 2.985928 -1.805840
H 0.200359 4.309182 -2.623831
H -1.442297 5.014964 1.354433
H -1.656154 3.409910 0.604392
H -0.103581 5.786668 -0.622549
H -1.687176 5.178615 -1.165318
H 2.400048 -2.317265 1.619136
H 2.588972 -3.706381 -0.547716
H 3.034490 -2.215211 -1.408318
H -1.324589 -2.167377 -1.694646
H -1.806373 0.581943 1.636137
H -3.782598 -2.099677 -2.115231
H -4.271222 0.643939 1.233672
H 6.204751 -3.492723 -0.672118


