%chk=000245584.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245584

0 1
S 1.868799 -0.564805 -0.084200
O 1.956777 -1.853954 -0.740893
O 2.747796 0.530023 -0.508197
N 0.877325 2.358059 0.046580
N 2.299677 -0.864780 1.553043
C 0.262932 -0.007313 -0.043127
C -0.083179 1.357963 0.006015
C -0.763606 -0.978482 -0.046092
C -2.101253 -0.619211 0.010873
C -1.464502 1.729794 0.069461
C -2.440791 0.758197 0.075810
C -3.186483 -1.645742 0.004880
H -0.487048 -2.038167 -0.106755
H -1.733845 2.781496 0.118438
H -3.493967 1.042133 0.126723
H -2.798366 -2.669250 -0.085316
H -3.777437 -1.607703 0.930840
H -3.877754 -1.493293 -0.836003
H 1.855052 2.156244 -0.212264
H 0.595064 3.316503 -0.077706
H 2.534039 -1.817398 1.821142
H 2.940570 -0.221214 2.009548


%chk=000245584-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245584

0 1
S 1.945567 -0.613489 -0.099243
O 1.959222 -2.141067 -0.661303
O 2.916348 0.535996 -0.758274
N 0.899211 2.361265 0.041594
N 2.453775 -0.575260 1.671086
C 0.183388 -0.004420 -0.041108
C -0.084900 1.393097 0.053048
C -0.813367 -0.999312 -0.089579
C -2.174351 -0.638938 -0.009110
C -1.473952 1.732305 0.147673
C -2.472213 0.748205 0.124124
C -3.278261 -1.679376 -0.064841
H -0.511523 -2.046442 -0.207489
H -1.747701 2.790994 0.228588
H -3.521543 1.060828 0.194846
H -2.867651 -2.697827 -0.170565
H -3.899171 -1.661134 0.850888
H -3.955964 -1.502401 -0.921296
H 1.861942 2.097862 -0.203168
H 0.644855 3.341565 0.124579
H 2.195569 -1.465899 2.127317
H 3.470518 -0.387453 1.695032