%chk=000272647.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272647

0 1
S 5.517733 -1.819998 0.624116
O -3.196053 -2.632302 1.413118
O -3.351628 -0.050747 -2.662880
O -4.149003 -2.399985 -1.127178
O 5.131382 -3.212007 0.504196
O 6.625141 -1.280425 -0.139230
N 0.715263 1.612144 -0.103330
N -1.097993 2.730020 1.213401
N -0.231995 3.715668 -0.854505
N 1.488719 2.731127 -2.118522
N -1.538077 4.991694 0.673198
N 5.944852 -1.598569 2.276576
C -0.431780 1.467017 0.900203
C -1.449360 0.463663 0.346614
C 1.880113 0.799444 0.058170
C 0.626608 2.707514 -1.013537
C -1.997864 0.613463 -0.919144
C -1.815069 -0.614303 1.171681
C 3.171102 1.346680 -0.092849
C 1.721183 -0.563710 0.383271
C -2.743718 -1.546723 0.703189
C -2.935179 -0.335458 -1.392537
C -3.317303 -1.428655 -0.592548
C 4.132650 -0.821934 0.408979
C -0.977763 3.746267 0.372116
C 4.285970 0.530505 0.081661
C 2.849511 -1.362236 0.554784
C -2.703242 -2.810247 2.765815
C -4.316859 -0.933404 -3.294914
C -5.376035 -2.619201 -0.376839
H 0.020430 1.089412 1.864294
H -1.746940 1.453633 -1.563783
H -1.396034 -0.697923 2.168621
H 3.304662 2.405327 -0.322872
H 0.725570 -1.002793 0.473160
H 5.289737 0.955315 -0.042922
H 2.726688 -2.427370 0.790160
H 1.813916 1.849130 -2.494217
H 1.290267 3.439579 -2.821908
H -1.626351 5.650803 -0.089274
H -2.297651 5.000505 1.341823
H 5.836952 -2.387826 2.909488
H 6.819695 -1.122965 2.486074
H -1.621875 -2.973165 2.756445
H -3.233653 -3.720415 3.074938
H -2.984603 -1.957016 3.389860
H -3.936152 -1.961975 -3.311061
H -4.383736 -0.504121 -4.300658
H -5.269966 -0.880802 -2.762315
H -5.135874 -3.038658 0.608021
H -5.894886 -3.352533 -1.002279
H -5.939604 -1.689044 -0.286267


%chk=000272647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272647

0 1
S 6.156098 -1.349820 -0.406066
O -4.739990 -1.391886 1.565525
O -1.985249 -1.864472 -2.471155
O -4.406899 -2.551595 -0.930997
O 5.883698 -2.939148 -0.645101
O 7.056793 -0.433622 -1.408710
N 0.735178 1.344532 0.252466
N -0.773880 1.904865 2.129189
N -0.580057 3.353256 0.159925
N 0.811740 2.814143 -1.635209
N -1.533292 4.129328 2.144651
N 6.952792 -1.161076 1.247935
C -0.243768 0.821739 1.287345
C -1.372819 -0.007219 0.638497
C 1.999875 0.725873 0.066105
C 0.303948 2.522654 -0.387435
C -1.244807 -0.565644 -0.643824
C -2.543573 -0.249638 1.397847
C 3.160811 1.494587 -0.249646
C 2.126161 -0.682830 0.246276
C -3.563774 -1.063431 0.868011
C -2.279508 -1.366472 -1.195514
C -3.452685 -1.637068 -0.438927
C 4.494028 -0.517447 -0.193473
C -0.948006 3.059373 1.497075
C 4.413793 0.872227 -0.387636
C 3.380632 -1.310531 0.121925
C -4.860049 -0.907083 2.943480
C -3.051697 -2.310086 -3.383825
C -5.785237 -2.045078 -1.103926
H 0.355193 0.164655 1.945834
H -0.367217 -0.383414 -1.270124
H -2.627552 0.218217 2.381582
H 3.081609 2.579136 -0.362260
H 1.240041 -1.291177 0.449436
H 5.308363 1.449176 -0.642174
H 3.484069 -2.395273 0.226082
H 1.306118 2.117885 -2.188436
H 0.488476 3.675670 -2.070316
H -1.614588 5.015694 1.655996
H -1.842446 4.021252 3.106143
H 6.977081 -2.088219 1.704841
H 7.894224 -0.763312 1.089550
H -4.032223 -1.286165 3.572314
H -5.818399 -1.307992 3.305461
H -4.876289 0.199118 2.981505
H -3.514672 -3.244511 -3.031913
H -2.538063 -2.462310 -4.346353
H -3.830529 -1.531022 -3.495608
H -6.202502 -1.720027 -0.137140
H -6.356995 -2.897403 -1.502525
H -5.802060 -1.206010 -1.828300


