%chk=000231330.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231330

0 1
S -2.187543 0.307605 1.158047
S 2.150755 -1.013930 0.757072
O -3.271997 0.844617 1.931549
O -0.905832 1.002192 1.228677
O 3.284458 -1.867406 0.964371
O 0.864678 -1.646705 0.493175
O -4.121260 -1.183280 -0.488347
O 4.269806 0.885239 0.055388
N -2.679169 0.436580 -0.546041
N 2.456288 -0.031919 -0.688103
N -3.615876 -0.320003 -1.148333
N 3.508909 0.790392 -0.864403
C -0.891527 0.950425 -2.242752
C 0.452211 1.159828 -1.538215
C -2.072539 1.493307 -1.419435
C 1.420069 -0.010910 -1.768825
C -1.973074 -1.370681 1.431302
C 1.990084 0.162521 2.004264
H -0.879656 1.451831 -3.231510
H -1.056565 -0.122661 -2.472861
H 0.919000 2.106830 -1.871812
H 0.282947 1.299273 -0.442426
H -1.755412 2.345195 -0.773639
H -2.857546 1.891867 -2.105320
H 0.880671 -0.988939 -1.754565
H 1.913912 0.073409 -2.762922
H -1.878511 -1.644293 2.493758
H -2.788821 -2.015921 1.052019
H -1.040806 -1.787507 0.963763
H 2.805701 0.907254 2.035548
H 1.047694 0.761594 1.924171
H 1.962851 -0.260901 3.019806


%chk=000231330-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231330

0 1
S -2.243709 0.502592 1.389712
S 2.205048 -1.274539 0.774564
O -3.516774 1.148681 2.178063
O -0.771922 1.225273 1.562402
O 3.378989 -2.367885 1.058919
O 0.682571 -1.817047 0.453204
O -3.744774 -1.697219 -0.835701
O 4.377488 1.255398 -0.094189
N -2.655507 0.327756 -0.888649
N 2.531524 0.189670 -0.929343
N -3.282707 -0.673744 -1.431916
N 3.458513 1.099879 -0.961016
C -0.885073 1.121187 -2.504205
C 0.352906 1.213623 -1.576973
C -2.206464 1.450833 -1.766095
C 1.431343 0.163357 -1.922586
C -2.041422 -1.327397 1.919896
C 2.100094 -0.082485 2.271799
H -0.785444 1.824479 -3.352634
H -0.982586 0.109664 -2.944360
H 0.797410 2.225514 -1.630917
H 0.049412 1.060751 -0.524294
H -2.075483 2.321986 -1.100545
H -3.019323 1.676734 -2.478520
H 0.997382 -0.851366 -1.848478
H 1.853022 0.300962 -2.934476
H -1.904027 -1.306829 3.011416
H -2.971677 -1.818686 1.604934
H -1.146367 -1.684360 1.380539
H 3.046409 0.476405 2.261500
H 1.206642 0.539154 2.094293
H 1.998404 -0.727438 3.157057


