%chk=000240292.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240292

0 1
S -1.991548 1.359606 1.330723
O 4.884773 0.923180 0.298123
O 5.653531 -1.867501 1.707017
O 6.105937 -1.928351 -0.759798
O 4.448945 1.751821 -2.658961
N 2.922372 0.510950 1.544948
N 1.120461 1.782370 2.234079
N 1.705167 -1.033829 -0.010178
N -0.735747 -0.554744 -0.054478
N 0.227242 -2.229725 -1.418303
C 4.541915 -1.349964 1.000627
C 4.341478 0.148149 1.372245
C 4.819802 -1.338918 -0.530994
C 4.982071 0.142184 -0.930571
C 3.921768 0.650613 -1.915366
C 1.799230 0.005878 0.875727
C 2.434663 1.616733 2.343561
C 0.676907 0.800107 1.329668
C -0.593200 0.461309 0.818911
C 0.411827 -1.255618 -0.452097
C -3.374255 0.592492 0.424249
C -4.615398 1.389778 0.806279
C -5.823544 0.820054 0.106342
C -6.180783 1.280664 -1.169906
C -6.592068 -0.177256 0.725184
C -7.299920 0.750170 -1.816978
C -7.710351 -0.703908 0.073224
C -8.066956 -0.241865 -1.197633
H 3.697698 -2.006133 1.307238
H 4.920564 0.466721 2.273815
H 4.042821 -1.879918 -1.106823
H 6.014855 0.361129 -1.298305
H 2.992596 0.954712 -1.399594
H 3.688578 -0.093044 -2.702020
H 6.506331 -1.557570 1.288818
H 6.071009 -2.897026 -0.580205
H 3.112268 2.202898 2.950225
H 4.587328 2.522771 -2.064407
H -3.467884 -0.477271 0.695411
H -3.184058 0.618205 -0.667229
H -4.494585 2.463456 0.542037
H -4.772422 1.378212 1.907152
H 0.966282 -2.890502 -1.599545
H -0.714756 -2.517459 -1.644685
H -5.587184 2.051537 -1.657659
H -6.319261 -0.541991 1.713493
H -7.575174 1.111615 -2.806634
H -8.305749 -1.476211 0.557729
H -8.938675 -0.652211 -1.702657


%chk=000240292-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240292

0 1
S -2.098974 1.587427 1.588290
O 4.735697 0.951715 0.025862
O 5.799809 -1.460814 1.835304
O 5.744566 -2.461825 -0.626103
O 5.197759 1.607363 -2.720230
N 2.861617 0.684952 1.519998
N 1.105868 1.852819 2.446392
N 1.608461 -0.645224 -0.167809
N -0.809624 -0.170681 -0.091305
N 0.080085 -1.703279 -1.610865
C 4.540825 -1.191642 1.150064
C 4.260284 0.325877 1.274981
C 4.713689 -1.435956 -0.382347
C 5.231737 -0.088761 -0.922503
C 4.709342 0.290679 -2.310406
C 1.712298 0.264236 0.838892
C 2.426894 1.647158 2.463676
C 0.635490 0.994296 1.432686
C -0.658931 0.728461 0.913207
C 0.309637 -0.810108 -0.587440
C -3.480388 0.789309 0.554116
C -4.833590 1.394583 0.989432
C -5.976268 0.735968 0.225064
C -6.444556 1.280064 -0.998421
C -6.569227 -0.459876 0.706746
C -7.478891 0.645783 -1.723731
C -7.603273 -1.097381 -0.014765
C -8.061323 -0.546462 -1.234314
H 3.726458 -1.798470 1.587681
H 4.849631 0.727144 2.117699
H 3.739514 -1.702127 -0.827208
H 6.338343 -0.074723 -0.907462
H 3.598951 0.256960 -2.301815
H 5.096902 -0.416479 -3.063911
H 6.327053 -2.054381 1.227281
H 5.319337 -3.346063 -0.752078
H 3.131451 2.148521 3.124647
H 4.948429 2.249917 -2.006525
H -3.437950 -0.297196 0.727898
H -3.260165 0.982318 -0.507126
H -4.824348 2.485063 0.805083
H -4.967690 1.246823 2.077738
H 0.859466 -2.189368 -2.043232
H -0.871302 -1.829228 -1.944411
H -6.000916 2.208260 -1.380168
H -6.223633 -0.888372 1.656139
H -7.832887 1.082845 -2.664385
H -8.054762 -2.016863 0.374961
H -8.865995 -1.036961 -1.793477


