%chk=000220927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220927

0 1
S 4.330820 -0.355354 0.107606
O 4.979728 0.833838 0.626837
O 4.652352 -1.667300 0.637988
N -3.652944 -0.149085 -0.117659
N -2.360787 -0.386664 -0.240819
N -1.540095 0.541678 0.102485
N 4.769354 -0.420778 -1.558331
C -4.270663 1.121648 0.366288
C -4.547869 -1.212392 -0.669844
C 2.629397 -0.134457 0.092777
C -0.145124 0.227991 0.063197
C 2.090759 1.160438 0.081010
C 1.777573 -1.245030 0.099458
C -4.395695 2.146014 -0.756589
C -5.157839 -2.040454 0.457045
C 0.713690 1.351118 0.064408
C 0.395099 -1.074707 0.083858
H -5.264152 0.884373 0.803680
H -3.639833 1.534771 1.191556
H -5.340857 -0.722235 -1.278678
H -3.969930 -1.872361 -1.360295
H 2.758539 2.029759 0.095013
H 2.197693 -2.257270 0.127098
H -3.408349 2.403782 -1.169171
H -5.013224 1.785941 -1.586029
H -4.842418 3.077431 -0.387998
H -4.381971 -2.519409 1.070967
H -5.773631 -1.436624 1.134007
H -5.794646 -2.838186 0.054935
H 0.287175 2.354355 0.059406
H -0.265002 -1.940667 0.089508
H 5.328874 0.340889 -1.934073
H 5.121878 -1.301955 -1.923840


%chk=000220927-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220927

0 1
S 4.389875 -0.439169 0.067114
O 5.061822 0.740555 0.969858
O 4.664790 -2.026601 0.318016
N -3.716347 -0.192811 -0.166741
N -2.393194 -0.475789 -0.208613
N -1.611804 0.554996 0.074321
N 4.910141 -0.108384 -1.675794
C -4.252047 1.148105 0.172458
C -4.618762 -1.322268 -0.464853
C 2.537786 -0.166758 0.044422
C -0.223564 0.226778 0.044552
C 2.051471 1.115202 0.349266
C 1.707035 -1.263353 -0.249784
C -4.270323 2.104001 -1.041164
C -5.241379 -1.949891 0.801326
C 0.656126 1.303459 0.347319
C 0.315587 -1.062618 -0.248201
H -5.271036 1.001153 0.572705
H -3.612201 1.569404 0.967899
H -5.414425 -0.961102 -1.144243
H -4.020517 -2.071485 -1.009088
H 2.741350 1.926154 0.602240
H 2.143924 -2.247365 -0.448465
H -3.244852 2.270922 -1.409263
H -4.883152 1.697504 -1.865684
H -4.697092 3.078958 -0.743806
H -4.453377 -2.348782 1.462952
H -5.834823 -1.213440 1.372668
H -5.913580 -2.780043 0.518401
H 0.219776 2.279411 0.580830
H -0.366342 -1.888606 -0.467241
H 5.561606 0.694477 -1.659306
H 5.345431 -0.973515 -2.038300


