%chk=000216911.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216911

0 1
S -5.225964 1.233667 0.051117
O 4.732479 -1.488634 0.067369
O 1.509801 1.778491 0.007426
O -5.076744 -2.613471 0.137748
O -6.700488 -1.172675 0.113092
N -0.399624 0.265232 0.050849
N 2.879706 1.688241 0.003113
N -5.517453 -1.480554 0.114268
C 3.221352 0.383143 0.031330
C -2.680263 0.953850 0.045532
C 4.584510 -0.083872 0.035590
C 2.024916 -0.439772 0.055711
C 0.978593 0.449280 0.040250
C -3.215528 -0.381770 0.078444
C -4.589436 -0.373160 0.084698
C -1.245587 1.255462 0.031927
C 5.819507 0.522701 0.015605
C -3.663237 1.926739 0.028018
C 6.799647 -0.531293 0.035299
C 6.109236 -1.715880 0.065993
H 2.000740 -1.515121 0.080481
H -2.588040 -1.273710 0.095804
H -0.985977 2.329306 0.005963
H -3.512541 2.998276 0.002919
H 6.026885 1.577816 -0.009798
H 7.863603 -0.386910 0.026852
H 6.360006 -2.753883 0.088797


%chk=000216911-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216911

0 1
S -5.342155 1.313418 0.055737
O 4.765320 -1.516876 0.072112
O 1.512739 1.811223 0.000970
O -4.966478 -2.672774 0.131687
O -6.788784 -1.272575 0.113657
N -0.388834 0.273708 0.049787
N 2.965989 1.713505 -0.003896
N -5.511131 -1.500113 0.112630
C 3.222539 0.366816 0.029586
C -2.694163 0.968550 0.046847
C 4.590170 -0.112604 0.035425
C 2.021041 -0.419542 0.055495
C 0.968279 0.485565 0.037643
C -3.250784 -0.364404 0.076840
C -4.631949 -0.353587 0.084616
C -1.264624 1.260674 0.032644
C 5.833921 0.507629 0.012531
C -3.682302 1.962023 0.032657
C 6.829904 -0.536668 0.035500
C 6.150620 -1.744626 0.071437
H 1.949321 -1.502227 0.083453
H -2.639739 -1.267853 0.091332
H -0.963800 2.323224 0.008142
H -3.541452 3.042692 0.010059
H 6.000987 1.581847 -0.017214
H 7.910031 -0.408971 0.026675
H 6.455432 -2.786557 0.098045


