%chk=000187131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187131

0 1
S 0.419929 -1.301919 -0.234942
O -1.616106 1.181202 -1.358625
O -0.398546 1.687317 0.450425
O 4.970941 0.643740 -0.841297
O -4.667241 -0.436997 0.976097
O 4.597202 0.021681 1.303145
N -2.881769 -0.862075 -0.371756
C -1.936868 -0.235171 0.565592
C -0.875650 -1.233511 1.034472
C 1.817131 -0.429279 0.550758
C 2.950323 -0.465009 -0.459433
C -1.212847 0.959629 -0.067279
C -4.261929 -0.854819 -0.093698
C 4.218641 0.064769 0.158374
C -5.125547 -1.426563 -1.176896
C 6.261202 1.190534 -0.457962
H -2.521140 0.155303 1.461563
H -0.468818 -0.948761 2.023508
H -1.306877 -2.249373 1.157548
H 1.523050 0.614687 0.803180
H 2.105374 -0.923802 1.500147
H -2.517350 -1.090673 -1.294747
H 3.149503 -1.502936 -0.819192
H 2.699698 0.118214 -1.376395
H -6.176329 -1.459605 -0.841066
H -5.101186 -0.817727 -2.091670
H -4.842532 -2.452760 -1.447996
H -1.144674 1.955044 -1.774837
H 6.579114 1.713551 -1.365947
H 6.935909 0.368799 -0.200193
H 6.141692 1.874811 0.388724


%chk=000187131-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187131

0 1
S 0.322117 -1.521542 0.055173
O -2.154226 1.833145 -0.827067
O -0.562949 1.874804 0.857668
O 5.045444 0.298387 -1.060806
O -4.824431 -0.665617 0.675144
O 4.521002 0.317803 1.209069
N -2.768496 -0.766098 -0.399512
C -2.068550 -0.082103 0.683644
C -0.974152 -0.958832 1.326274
C 1.799541 -0.457535 0.602966
C 2.917352 -0.613651 -0.438446
C -1.494015 1.280006 0.269002
C -4.136480 -0.999227 -0.338270
C 4.207830 0.045158 0.028447
C -4.745469 -1.675494 -1.558759
C 6.363339 0.897232 -0.730513
H -2.856588 0.123668 1.444026
H -0.444335 -0.406334 2.117948
H -1.428532 -1.869110 1.746338
H 1.456503 0.585144 0.687924
H 2.133796 -0.813248 1.590049
H -2.231157 -1.015151 -1.232352
H 3.136746 -1.687009 -0.611355
H 2.628875 -0.191184 -1.416370
H -5.326485 -2.554217 -1.232253
H -5.451478 -0.976619 -2.040575
H -3.996352 -1.993897 -2.303676
H -1.777839 2.737274 -1.009417
H 6.869959 1.009872 -1.698943
H 6.929024 0.229398 -0.059320
H 6.224305 1.873278 -0.236439


