%chk=000265567.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265567

0 1
S -4.304620 -1.160968 0.656674
O -0.454636 1.373575 0.716194
O 0.167835 -1.435016 0.436028
O 1.894214 2.880121 -0.021831
O -5.443200 0.203781 -1.288584
N 0.693576 0.851959 0.157570
C 2.448615 -0.641917 -0.041104
C 2.976161 0.673212 -0.181208
C -2.762106 1.063959 0.202306
C -1.470715 1.695594 -0.310555
C 0.973206 -0.567209 0.240599
C 1.876168 1.683231 0.000821
C -2.810013 -0.428827 -0.077706
C 3.256127 -1.751786 -0.166916
C 4.312312 0.881012 -0.447743
C 4.629777 -1.540686 -0.435678
C 5.144651 -0.257180 -0.572618
C -5.645543 -0.552567 -0.381471
C -6.948340 -1.110454 0.061581
H -2.850306 1.257942 1.294410
H -3.629014 1.575832 -0.273458
H -1.174464 1.340367 -1.308003
H -1.506498 2.799768 -0.306565
H -1.939663 -0.956226 0.384341
H -2.781629 -0.643771 -1.162889
H 2.855567 -2.761317 -0.061640
H 4.720656 1.886915 -0.557574
H 5.287003 -2.406601 -0.534448
H 6.206862 -0.113600 -0.779095
H -7.175855 -0.857876 1.110001
H -6.972963 -2.210394 -0.008394
H -7.777464 -0.725972 -0.554747


%chk=000265567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000265567

0 1
S -4.957281 -0.582001 1.241176
O -0.487264 0.643534 0.737585
O 0.673478 -1.975621 0.133683
O 1.634132 2.660392 0.351182
O -5.411558 -0.393401 -1.460602
N 0.833993 0.405969 0.295198
C 2.802296 -0.705183 -0.177110
C 3.089488 0.683065 -0.111110
C -2.811555 0.945027 0.143083
C -1.390372 1.011703 -0.417534
C 1.342716 -0.919362 0.091875
C 1.829587 1.433263 0.205363
C -3.223072 -0.495945 0.494037
C 3.803616 -1.645589 -0.459558
C 4.386448 1.171483 -0.325797
C 5.120189 -1.160298 -0.675874
C 5.407095 0.226258 -0.609790
C -5.948066 -0.485161 -0.334046
C -7.444676 -0.538212 -0.086950
H -2.879239 1.595773 1.034193
H -3.498822 1.351929 -0.621303
H -1.229804 0.284922 -1.235751
H -1.123816 2.031509 -0.748919
H -2.553469 -0.942501 1.245185
H -3.242293 -1.131535 -0.407384
H 3.570124 -2.713736 -0.507920
H 4.595855 2.244363 -0.272444
H 5.928024 -1.866110 -0.896365
H 6.432437 0.571475 -0.779823
H -7.753322 0.280654 0.587047
H -7.717688 -1.490917 0.401384
H -7.981477 -0.450848 -1.044413


