%chk=000289430.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289430

0 1
S -0.897609 2.523819 0.155655
O -0.872838 3.802873 -0.529706
O -1.362010 2.425111 1.521255
O -3.748952 -3.542853 0.430394
O 4.321960 -1.737690 1.146745
N -1.922187 1.576172 -0.850278
N 4.449636 -0.002757 -0.372041
C 0.638371 1.769254 0.018382
C -2.412349 0.275363 -0.535700
C 0.964748 0.660101 0.809730
C 1.581967 2.277608 -0.884374
C 3.155369 0.563352 -0.208881
C 2.212012 0.051703 0.702512
C 2.835216 1.688088 -1.008001
C -2.537702 -0.160712 0.803438
C -2.769933 -0.583312 -1.591047
C -2.983190 -1.445582 1.074577
C -3.231385 -1.876321 -1.325771
C -3.325354 -2.298175 0.003003
C 4.970698 -1.132754 0.323684
C 6.376948 -1.477654 -0.071194
C -4.141989 -4.499823 -0.579972
H -2.292952 1.986749 -1.714503
H 0.236786 0.263603 1.528521
H 1.334487 3.155430 -1.495724
H 2.455134 -0.817722 1.325530
H 3.555696 2.096681 -1.711556
H -2.315703 0.519125 1.636514
H -2.688067 -0.249347 -2.623356
H -3.085796 -1.805918 2.097361
H -3.505681 -2.526969 -2.149808
H 5.054166 0.460005 -1.056654
H 6.468748 -1.737822 -1.134639
H 6.718976 -2.359451 0.500244
H 7.089064 -0.669039 0.144462
H -4.999032 -4.125754 -1.147017
H -4.424946 -5.366945 0.031245
H -3.295007 -4.739037 -1.228931


%chk=000289430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289430

0 1
S -1.014041 2.773880 0.323629
O -0.802077 4.251672 -0.327177
O -1.485608 2.534889 1.862104
O -3.584763 -3.460363 0.526584
O 4.058895 -2.111833 0.860941
N -2.464635 1.909873 -0.803622
N 4.227030 -0.226190 -0.529830
C 0.600052 1.823536 0.081836
C -2.671023 0.539395 -0.512009
C 0.826034 0.657160 0.832535
C 1.526577 2.323245 -0.850959
C 2.987370 0.425943 -0.293027
C 2.029068 -0.053981 0.643753
C 2.729522 1.617598 -1.030161
C -3.363621 0.207247 0.694049
C -2.252738 -0.512487 -1.376571
C -3.634661 -1.129524 1.009407
C -2.557766 -1.856481 -1.084338
C -3.242503 -2.167682 0.119984
C 4.711349 -1.416955 0.030387
C 6.107917 -1.816430 -0.437499
C -3.210119 -4.576282 -0.348381
H -2.099407 2.076897 -1.763037
H 0.088330 0.322518 1.568735
H 1.320271 3.253666 -1.389933
H 2.239717 -0.963405 1.208276
H 3.475764 1.995854 -1.740076
H -3.678691 1.017511 1.356953
H -1.701804 -0.271648 -2.294817
H -4.162984 -1.400570 1.928092
H -2.249557 -2.642520 -1.779792
H 4.847011 0.240846 -1.195396
H 6.532529 -1.152891 -1.210590
H 6.071618 -2.846100 -0.831647
H 6.787375 -1.825703 0.432546
H -3.691745 -4.485463 -1.341064
H -3.579830 -5.476504 0.163106
H -2.111557 -4.639318 -0.468890


