%chk=000104513.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104513

0 1
S -0.584840 -1.500197 0.115697
N -0.538882 0.979282 -0.624217
C 2.612822 -0.197885 0.348632
C 1.688156 -0.137797 -0.894213
C 0.258063 -0.053241 -0.530550
C 2.586323 1.130002 1.110154
C 4.039841 -0.546773 -0.090313
C -2.076281 -0.584179 0.241855
C -1.865131 0.698417 -0.190630
C -3.288320 -1.236013 0.754079
C -2.860538 1.797349 -0.251031
H 2.244700 -1.006909 1.028705
H 1.866984 -1.022644 -1.542349
H 1.967149 0.743219 -1.519279
H 3.187794 1.079253 2.023378
H 2.974667 1.956513 0.504643
H 1.564099 1.403546 1.401844
H 4.085078 -1.521233 -0.587640
H 4.447824 0.198434 -0.782119
H 4.715856 -0.589355 0.771600
H -3.587105 -2.094563 0.130831
H -3.150081 -1.610540 1.781375
H -4.145898 -0.544906 0.778372
H -3.701265 1.539306 -0.910718
H -3.266052 2.025097 0.744987
H -2.413460 2.726918 -0.641692


%chk=000104513-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104513

0 1
S -0.557394 -1.543704 0.261109
N -0.555317 0.934028 -0.714047
C 2.681737 -0.258278 0.317922
C 1.717007 -0.143777 -0.904011
C 0.261178 -0.088409 -0.539211
C 2.544598 0.961706 1.256058
C 4.136675 -0.424592 -0.177275
C -2.084746 -0.565808 0.299440
C -1.868798 0.690909 -0.255760
C -3.350839 -1.137454 0.873365
C -2.904388 1.782911 -0.400600
H 2.399977 -1.169341 0.886749
H 1.901544 -0.998103 -1.585455
H 1.945319 0.782359 -1.464606
H 3.207947 0.857241 2.134445
H 2.822307 1.893312 0.726628
H 1.507696 1.078399 1.618680
H 4.247869 -1.317538 -0.820821
H 4.454658 0.459272 -0.763179
H 4.832760 -0.530189 0.675155
H -3.673564 -2.048202 0.334885
H -3.235740 -1.408244 1.939724
H -4.166363 -0.397682 0.800981
H -3.750155 1.469056 -1.039907
H -3.321002 2.090860 0.576113
H -2.431460 2.662369 -0.864978


