%chk=000189769.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189769

0 1
S 0.659304 0.324737 1.073457
O -0.294958 0.390262 -3.148435
O -3.839216 1.524475 0.039592
O -3.005484 -0.177217 1.284527
O 2.898034 -2.722667 -2.215287
N -1.038679 -0.123765 -0.913960
N 2.174651 -0.726883 -1.374614
N -7.270045 0.152702 0.313470
C -0.052235 -0.886986 -0.085847
C -0.493549 1.729648 0.640158
C -1.569907 1.098681 -0.296360
C 0.790508 -1.149551 -1.372696
C -0.184866 -0.150114 -2.097064
C -1.048391 2.257144 1.944584
C 0.325973 2.765925 -0.106269
C -2.837690 0.686120 0.463014
C 3.180085 -1.613446 -1.801199
C 4.594143 -1.068711 -1.768537
C -5.182619 1.344835 0.591636
C -5.810301 0.080126 -0.008690
C 4.926336 -0.275640 -0.538404
C 5.244738 1.086131 -0.639290
C 4.926051 -0.902074 0.717956
C -8.059032 0.611239 -0.867689
C -7.780984 -1.157779 0.810713
C 5.562983 1.814515 0.511054
C 5.240947 -0.167299 1.862992
C 5.560446 1.191372 1.762256
H -0.465636 -1.767156 0.439253
H -1.864377 1.829002 -1.106386
H 0.691279 -2.198445 -1.763388
H -0.271444 2.726250 2.565019
H -1.822331 3.020250 1.778440
H -1.499174 1.465316 2.567193
H 1.199584 3.096607 0.474313
H 0.707047 2.398921 -1.068794
H -0.264224 3.669349 -0.318839
H 2.403435 0.155415 -0.910582
H 5.296962 -1.932804 -1.860881
H 4.763745 -0.478032 -2.697094
H -5.676949 2.276595 0.264152
H -5.117662 1.301882 1.691057
H -5.328735 -0.817048 0.442256
H -5.589029 0.024376 -1.095531
H 5.251876 1.578966 -1.609434
H 4.678910 -1.959917 0.800502
H -7.673352 1.585894 -1.206426
H -9.104645 0.767141 -0.555461
H -8.055273 -0.078364 -1.724616
H -7.227395 -1.435490 1.723169
H -7.708488 -1.987880 0.093155
H -8.838460 -1.041841 1.099126
H 5.814898 2.871010 0.429681
H 5.236847 -0.654588 2.837609
H 5.807149 1.760512 2.656537


%chk=000189769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189769

0 1
S 0.604008 -0.015732 1.384800
O 0.256504 0.625136 -2.954693
O -3.818576 1.365478 0.256782
O -3.021568 -0.755058 0.833177
O 3.045425 -2.945059 -2.308007
N -0.805165 -0.175919 -0.910656
N 2.393034 -1.074567 -1.083339
N -7.389872 0.108299 0.205440
C 0.002040 -1.095611 -0.073955
C -0.543219 1.489451 0.877315
C -1.523356 0.903983 -0.236652
C 0.984476 -1.285130 -1.293207
C 0.155814 -0.115883 -1.963328
C -1.262599 1.988266 2.144722
C 0.338184 2.593701 0.255152
C -2.840941 0.380487 0.341072
C 3.348512 -1.926922 -1.618805
C 4.822787 -1.566789 -1.330329
C -5.173931 1.014384 0.795264
C -5.990027 0.235203 -0.254776
C 5.073136 -0.324637 -0.492600
C 5.131434 0.958679 -1.098972
C 5.230454 -0.416108 0.915149
C -8.227201 1.274501 -0.139276
C -8.028454 -1.171907 -0.160150
C 5.342661 2.118582 -0.319875
C 5.443129 0.741486 1.697696
C 5.499588 2.013430 1.082211
H -0.521218 -1.971770 0.327170
H -1.746614 1.704142 -0.962640
H 0.859795 -2.248534 -1.818708
H -0.529247 2.390990 2.864945
H -1.968244 2.799531 1.885103
H -1.819324 1.177770 2.644209
H 1.156488 2.869053 0.942325
H 0.789117 2.267826 -0.697526
H -0.269772 3.498325 0.058079
H 2.686820 -0.286536 -0.497155
H 5.263916 -2.462906 -0.856460
H 5.302945 -1.479685 -2.322716
H -5.625915 1.991338 1.024814
H -5.060025 0.414981 1.713473
H -5.550339 -0.770995 -0.365521
H -5.906032 0.748362 -1.243046
H 5.014484 1.046642 -2.186161
H 5.189761 -1.399721 1.399109
H -7.749829 2.208452 0.206090
H -9.205397 1.192841 0.367290
H -8.411629 1.370420 -1.239122
H -7.413182 -2.013626 0.202003
H -8.179413 -1.297575 -1.261541
H -9.017908 -1.241215 0.326912
H 5.390011 3.099786 -0.805452
H 5.566147 0.650652 2.782699
H 5.669130 2.911405 1.686766


