%chk=000222499.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222499

0 1
S 1.365078 2.031661 -1.384320
S -1.543393 -0.122860 -0.852397
O -0.512186 -0.709558 0.001626
O -1.592828 -0.508427 -2.246690
N 5.398511 -0.690843 0.256484
N -1.341466 1.565920 -0.771425
N -0.523847 3.742608 -0.753325
N -6.842695 -0.827959 1.652800
C 3.976768 -0.389827 0.626999
C 3.398700 0.601372 -0.404385
C 6.186932 -1.154874 1.446541
C 5.460601 -1.692587 -0.861410
C 1.974236 0.974739 -0.027432
C 6.494977 0.029052 2.365214
C 6.826092 -1.625481 -1.547135
C -0.358515 2.379938 -0.919889
C -3.077416 -0.341053 -0.128392
C -4.241138 -0.262585 -0.907885
C -3.178282 -0.602857 1.245917
C -5.589818 -0.706175 1.053722
C -5.493536 -0.445588 -0.336739
C -4.416373 -0.790953 1.845575
H 3.338569 -1.297810 0.687095
H 3.956433 0.077092 1.636161
H 4.056196 1.494676 -0.455790
H 3.438479 0.144557 -1.416823
H 7.145547 -1.586762 1.079237
H 5.674625 -1.959787 2.016163
H 4.669243 -1.436562 -1.603471
H 5.250066 -2.729940 -0.523493
H 1.323780 0.067434 0.075610
H 1.923924 1.519497 0.930876
H 6.935076 0.858525 1.794468
H 5.592260 0.419623 2.848076
H 7.202528 -0.255112 3.149793
H 7.075442 -0.589684 -1.816162
H 7.630563 -1.987789 -0.897672
H 6.835142 -2.223910 -2.463383
H -4.161336 -0.065572 -1.984328
H -2.266768 -0.671582 1.852907
H -6.387945 -0.380918 -0.948506
H -4.483642 -0.991483 2.910188
H -1.452980 4.128694 -0.657733
H 0.214486 4.390448 -0.983009
H -7.658547 -0.955787 1.078691
H -6.914545 -1.195011 2.586351


%chk=000222499-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222499

0 1
S 1.427692 3.423566 -0.751897
S -0.466943 0.491717 0.224931
O 0.259441 0.191111 1.661474
O 0.300955 0.073361 -1.159412
N 4.605792 -0.765216 0.238301
N -1.084468 2.263112 0.220147
N -1.011789 4.450731 -0.500389
N -5.811367 -2.352378 0.261321
C 3.878375 0.355754 0.892582
C 3.236610 1.300214 -0.153111
C 5.746074 -1.266140 1.050051
C 3.684684 -1.854116 -0.195975
C 2.397138 2.387501 0.533808
C 6.972075 -0.333194 1.001789
C 4.242084 -2.669055 -1.378918
C -0.351007 3.261812 -0.257745
C -2.123432 -0.356062 0.234750
C -2.654520 -0.806059 -0.986402
C -2.773859 -0.553215 1.465668
C -4.588214 -1.690702 0.251977
C -3.889513 -1.477448 -0.975693
C -4.009218 -1.223497 1.471961
H 3.082248 -0.017401 1.582628
H 4.598652 0.927283 1.508781
H 4.038976 1.744330 -0.771210
H 2.580390 0.719222 -0.823795
H 6.041425 -2.250896 0.643694
H 5.446692 -1.442892 2.115674
H 2.729116 -1.393817 -0.504649
H 3.440201 -2.537885 0.656428
H 1.662553 1.947686 1.229751
H 3.012822 3.124263 1.077895
H 7.309160 -0.207379 -0.041941
H 6.742117 0.669301 1.406853
H 7.804414 -0.752779 1.598289
H 4.423202 -2.004396 -2.241530
H 5.196234 -3.168348 -1.127683
H 3.521404 -3.452680 -1.679987
H -2.098562 -0.651794 -1.916853
H -2.310349 -0.208766 2.395321
H -4.318189 -1.842036 -1.916281
H -4.531516 -1.391361 2.420891
H -2.029595 4.465290 -0.437806
H -0.488650 5.317980 -0.606798
H -6.224335 -2.698656 -0.599847
H -6.308000 -2.519565 1.131652


