%chk=000271034.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271034

0 1
S 5.204638 0.835508 0.239957
O -3.523374 0.645831 2.308633
O 5.903635 1.888820 -0.467817
O 5.720392 0.338953 1.483720
N -4.768424 1.049852 0.343576
N -4.641906 1.859837 -0.784428
N -1.452805 1.743771 0.327484
N -0.494801 2.395234 0.777606
N 5.288650 -0.436696 -0.965949
N 4.965643 -2.638499 -1.800928
N 3.806097 -1.857777 0.218744
C -2.789274 2.314932 0.612261
C -3.548288 2.583134 -0.696334
C -3.671089 1.207859 1.260022
C -5.876505 0.130783 0.431274
C -3.082044 3.550438 -1.705509
C 3.541569 1.238659 0.368077
C 0.853342 1.916035 0.576106
C -5.988606 -0.698341 1.561346
C -6.834662 0.076919 -0.598515
C 2.987890 2.179057 -0.512023
C 2.747390 0.642038 1.354572
C 1.641586 2.525102 -0.418483
C 1.394359 0.974169 1.463893
C -7.068192 -1.579668 1.651250
C -7.903991 -0.811878 -0.485001
C -8.026241 -1.641073 0.635337
C 4.678426 -1.678557 -0.842998
C 4.352034 -3.845415 -1.671565
C 3.459795 -4.103461 -0.605849
C 3.217481 -3.079418 0.313586
C 4.661790 -4.880280 -2.696796
H -2.799612 3.224758 1.271092
H -2.848121 4.529258 -1.259060
H -3.835189 3.720584 -2.495269
H -2.168867 3.186847 -2.207664
H -5.247707 -0.663633 2.364390
H -6.745976 0.719545 -1.475471
H 3.617476 2.653919 -1.275565
H 3.184355 -0.095352 2.043698
H 1.209135 3.257635 -1.097417
H 0.771188 0.506974 2.226949
H 5.928742 -0.330287 -1.774277
H -7.159273 -2.224248 2.525822
H -8.649256 -0.857966 -1.279083
H -8.863603 -2.330699 0.714825
H 2.980209 -5.070604 -0.506953
H 2.532955 -3.215765 1.161049
H 5.122622 -5.768857 -2.239243
H 3.752747 -5.209885 -3.221317
H 5.364760 -4.509893 -3.463356


%chk=000271034-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271034

0 1
S 4.736293 -0.062598 1.422447
O -3.840888 2.195677 2.150768
O 5.675908 1.212245 1.789676
O 4.604975 -1.328648 2.419484
N -5.146336 1.250573 0.377265
N -4.996625 1.030592 -1.035702
N -1.760186 1.375263 0.003426
N -0.770794 2.202941 0.166703
N 5.458261 -0.553849 -0.212679
N 6.116678 -2.173824 -1.754847
N 3.957535 -2.340882 -0.602975
C -3.035639 2.092809 -0.237326
C -3.813163 1.484716 -1.396414
C -4.020046 1.870183 0.952928
C -6.366420 0.838455 1.001403
C -3.308990 1.383069 -2.800345
C 3.014721 0.577153 0.985447
C 0.493799 1.568768 0.449070
C -6.556094 1.008458 2.398509
C -7.385944 0.255270 0.204807
C 2.893114 1.957080 0.761963
C 1.942192 -0.332606 0.972659
C 1.600899 2.453820 0.491191
C 0.660139 0.177501 0.699949
C -7.770105 0.589945 2.983656
C -8.590512 -0.156066 0.810376
C -8.792452 0.007447 2.200681
C 5.161124 -1.744883 -0.867933
C 5.836670 -3.308508 -2.464071
C 4.618948 -4.012371 -2.248972
C 3.715800 -3.487306 -1.302715
C 6.873073 -3.779361 -3.456139
H -2.859514 3.181505 -0.362991
H -3.064176 2.381193 -3.209890
H -4.063077 0.907491 -3.447191
H -2.379397 0.783921 -2.831594
H -5.769584 1.458751 3.007332
H -7.221452 0.130831 -0.867474
H 3.768308 2.610948 0.822539
H 2.122842 -1.393762 1.161537
H 1.426923 3.519593 0.315346
H -0.216915 -0.475466 0.680989
H 6.399626 -0.159827 -0.340098
H -7.912433 0.722548 4.061802
H -9.373825 -0.606671 0.190900
H -9.730699 -0.313860 2.665288
H 4.392263 -4.931291 -2.795111
H 2.763671 -3.985286 -1.090249
H 7.240245 -4.788777 -3.193677
H 6.446918 -3.841130 -4.474444
H 7.725442 -3.083575 -3.466906


