%chk=000190308.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190308

0 1
S 1.159250 0.099109 2.596412
P 1.553332 0.285032 0.756299
O 1.098758 -1.085636 -0.279314
O 1.366522 1.748218 0.062621
O 3.129944 0.037932 0.328500
N -0.681332 0.114618 0.230246
N -2.920051 -0.502016 -0.346480
C -0.242545 -1.044406 -0.381523
C -2.462057 -1.640588 -0.945011
C -1.086300 -1.963652 -0.994426
C 2.044697 2.008774 -1.205790
C 3.832182 -1.086243 0.947577
C -2.027330 0.366206 0.242130
C -2.536994 1.608739 0.888262
C -3.479400 -2.541446 -1.552914
C 1.319148 1.349836 -2.362108
C 5.230589 -0.980284 0.368131
C -1.504825 2.574454 1.364935
C -3.851607 1.812768 1.035110
H -0.713978 -2.866592 -1.463212
H 1.962419 3.115859 -1.235691
H 3.111586 1.717906 -1.141719
H 3.828317 -0.962763 2.048566
H 3.326787 -2.025578 0.652991
H -3.501196 -3.516598 -1.041447
H -4.498705 -2.121487 -1.488442
H -3.269793 -2.729801 -2.616120
H 1.624611 1.788405 -3.320319
H 1.516873 0.270082 -2.425791
H 0.230602 1.479420 -2.275778
H 5.213819 -1.057490 -0.727185
H 5.684836 -0.009160 0.609088
H 5.885022 -1.768171 0.757344
H -0.721849 2.757771 0.608840
H -0.976627 2.175452 2.250344
H -1.929895 3.544458 1.644682
H -4.261225 2.697182 1.501907
H -4.607283 1.110293 0.700383


%chk=000190308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190308

0 1
S 1.591497 0.426477 2.772382
P 1.882901 0.440320 0.745877
O 0.959755 -0.770769 -0.238856
O 1.784249 1.959760 -0.033355
O 3.418492 -0.091624 0.156577
N -1.016296 0.358163 0.324778
N -3.182452 -0.569433 -0.235616
C -0.429378 -0.722094 -0.232031
C -2.566692 -1.655024 -0.800752
C -1.154546 -1.782633 -0.817057
C 2.453454 2.223746 -1.353887
C 4.023043 -1.334321 0.720911
C -2.390220 0.403755 0.316699
C -3.019204 1.591669 0.956873
C -3.468972 -2.708532 -1.398285
C 1.704971 1.586800 -2.526156
C 5.471836 -1.361587 0.244287
C -2.084424 2.603564 1.587630
C -4.377235 1.720361 0.958992
H -0.650528 -2.646415 -1.252822
H 2.422957 3.325179 -1.396423
H 3.500266 1.880020 -1.295305
H 3.950045 -1.296898 1.824927
H 3.447498 -2.200440 0.344762
H -4.145617 -3.110834 -0.623484
H -4.108431 -2.259932 -2.179212
H -2.894129 -3.539574 -1.838566
H 2.160819 1.924485 -3.476197
H 1.762794 0.485759 -2.487923
H 0.643719 1.889354 -2.525601
H 5.522522 -1.366599 -0.857884
H 6.023320 -0.483055 0.619285
H 5.969052 -2.275065 0.619805
H -1.370674 3.003594 0.845064
H -1.463750 2.132827 2.371646
H -2.653810 3.438476 2.029854
H -4.862223 2.584021 1.426885
H -5.008310 0.957102 0.493275


