%chk=000295607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295607

0 1
S 2.100391 0.791917 -0.912165
O -0.680198 0.192859 -2.222121
O -1.007977 -1.023826 2.231524
N -1.183635 -0.319846 0.006200
N 3.438818 1.088911 1.799540
C 1.054643 -0.686157 -0.717965
C 0.923228 -1.160788 0.726556
C -2.577939 0.076135 0.011303
C -0.333155 -0.200793 -1.141389
C -0.504401 -0.854846 1.151942
C -2.910630 1.442981 0.132358
C -3.578086 -0.913719 -0.105141
C -1.866775 2.522413 0.243447
C -3.254737 -2.379442 -0.226788
C -4.265805 1.805460 0.134837
C -4.922394 -0.513470 -0.094051
C -5.262429 0.834940 0.023994
C 3.692803 0.226416 -0.484973
C -1.572639 3.134874 -1.125228
C -3.304705 -3.060811 1.140005
C 4.219968 0.495692 0.796832
C 4.465573 -0.434573 -1.447209
C 5.544788 0.079918 1.094700
C 5.761728 -0.842139 -1.144569
C 6.292474 -0.582753 0.130992
H 1.413588 -1.493812 -1.394680
H 1.643890 -0.679971 1.423660
H 1.127865 -2.245782 0.831080
H -2.211564 3.310926 0.944750
H -0.932096 2.130319 0.691979
H -3.971738 -2.868351 -0.919588
H -2.261158 -2.532008 -0.692842
H -4.539964 2.855639 0.221050
H -5.706599 -1.264261 -0.176206
H -6.310779 1.131217 0.029211
H -1.276559 2.363470 -1.854528
H -0.759829 3.865617 -1.070315
H -2.452780 3.639527 -1.539336
H -2.644236 -2.556827 1.863762
H -2.995652 -4.108454 1.077188
H -4.314495 -3.033878 1.565906
H 4.050119 -0.626622 -2.439699
H 5.966485 0.272561 2.077515
H 6.364935 -1.355269 -1.888881
H 7.309175 -0.905026 0.363396
H 3.924714 1.481671 2.592947
H 2.632973 1.635257 1.516798


%chk=000295607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295607

0 1
S 2.094520 0.886948 -1.249753
O -0.899639 0.054158 -2.476692
O -0.695729 -1.051873 2.088830
N -1.117260 -0.388769 -0.152139
N 3.152663 1.359298 1.619868
C 1.037445 -0.736731 -1.111527
C 1.021200 -1.344278 0.299644
C -2.489604 0.054078 0.014028
C -0.411325 -0.316672 -1.386523
C -0.323690 -0.928456 0.901332
C -2.745025 1.443658 0.182798
C -3.531472 -0.914868 0.005353
C -1.644645 2.496107 0.153630
C -3.271050 -2.406421 -0.154293
C -4.090546 1.852159 0.354665
C -4.861177 -0.457850 0.176057
C -5.141899 0.912726 0.352155
C 3.684570 0.291242 -0.531072
C -1.606864 3.274251 -1.190641
C -3.339229 -3.168817 1.197619
C 4.020225 0.623748 0.823015
C 4.581723 -0.448808 -1.333696
C 5.276463 0.169466 1.330962
C 5.815506 -0.897053 -0.816185
C 6.150741 -0.580563 0.524388
H 1.413940 -1.404825 -1.899261
H 1.850482 -1.015754 0.944754
H 1.059955 -2.449501 0.261256
H -1.812942 3.213144 0.980287
H -0.656052 2.034100 0.329240
H -4.026629 -2.828957 -0.844022
H -2.286244 -2.581078 -0.624335
H -4.307657 2.918000 0.493607
H -5.678582 -1.188832 0.166208
H -6.176649 1.247639 0.485002
H -1.429676 2.587938 -2.036223
H -0.800476 4.030041 -1.178928
H -2.564538 3.795637 -1.370661
H -2.597044 -2.771182 1.910798
H -3.144339 -4.246653 1.047181
H -4.338794 -3.063493 1.657192
H 4.306087 -0.660792 -2.372757
H 5.553436 0.413932 2.363594
H 6.503940 -1.470136 -1.444446
H 7.107295 -0.915823 0.941500
H 3.394647 1.594427 2.577801
H 2.289142 1.720784 1.216189


