%chk=000296001.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296001

0 1
S -1.671951 0.716632 -2.646147
O -3.006600 0.422411 -1.665817
O -0.921829 1.491849 -1.322487
O -2.565498 -2.983038 0.866084
O -0.978515 -0.503716 -2.960602
O 4.517534 -1.250146 -0.126720
O 5.051151 1.400679 0.804027
N -3.090322 -0.838725 0.315123
C -2.789098 0.480952 -0.235724
C -1.284885 0.924901 -0.056972
C -3.923845 1.394955 0.285701
C -1.050876 2.016749 0.996455
C -0.323063 -0.228747 0.232755
C -5.067058 0.458670 0.729655
C -4.550908 -0.987530 0.579760
C 0.392149 2.535246 0.938734
C -2.169484 -1.878620 0.540261
C 1.091986 0.167459 0.315113
C -0.747996 -1.480478 0.461705
C 1.432550 1.471665 0.716759
C 2.108141 -0.762756 0.012775
C 2.783359 1.821792 0.869440
C 3.446279 -0.411368 0.141027
C 3.794054 0.895895 0.591976
C 4.218687 -2.525501 -0.746041
C 6.191075 0.545817 0.528144
H -4.256541 2.074586 -0.520965
H -3.587766 2.027257 1.123217
H -1.271663 1.600702 2.001241
H -1.745933 2.864279 0.835401
H -5.361675 0.667254 1.772205
H -5.966701 0.615852 0.109432
H -4.703734 -1.602219 1.491164
H -5.039118 -1.515822 -0.266864
H 0.614938 3.107075 1.862670
H 0.476303 3.261375 0.094934
H -0.058801 -2.306025 0.663839
H 1.826324 -1.755768 -0.337741
H 3.070503 2.820718 1.197040
H 5.223928 -2.935769 -0.903756
H 3.700091 -2.378783 -1.698504
H 3.642368 -3.153437 -0.060383
H 6.205685 0.272343 -0.532079
H 6.153632 -0.346195 1.163169
H 7.029924 1.199028 0.792698


%chk=000296001-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296001

0 1
S -1.643849 0.748664 -2.700761
O -2.928688 -0.005627 -1.591644
O -1.018678 1.707589 -1.194596
O -2.562565 -2.928507 1.300534
O -0.616633 -0.424160 -3.081452
O 4.505782 -1.199799 -0.586034
O 5.136382 1.422941 0.428794
N -3.091246 -0.751491 0.662104
C -2.783956 0.425870 -0.111204
C -1.319003 0.936311 0.043553
C -3.962036 1.371291 0.187076
C -1.054106 1.970209 1.166664
C -0.331434 -0.218817 0.241479
C -5.153623 0.380528 0.284757
C -4.542314 -0.876341 0.961279
C 0.390895 2.520298 1.053603
C -2.185816 -1.807470 0.835137
C 1.088426 0.177334 0.235944
C -0.773364 -1.478768 0.554399
C 1.444548 1.485218 0.672229
C 2.103836 -0.733308 -0.160324
C 2.812724 1.820472 0.744254
C 3.464240 -0.375458 -0.125074
C 3.832198 0.920308 0.368810
C 4.131485 -2.484923 -1.186304
C 6.240301 0.546297 0.874205
H -4.083928 2.136830 -0.594402
H -3.803745 1.873684 1.159155
H -1.215850 1.464272 2.137758
H -1.770456 2.806500 1.087173
H -6.000093 0.789473 0.859629
H -5.505255 0.124443 -0.728695
H -4.688817 -0.883960 2.057594
H -4.935410 -1.826060 0.562257
H 0.668140 3.007128 2.007845
H 0.397671 3.310897 0.279368
H -0.072009 -2.292593 0.761748
H 1.801923 -1.704448 -0.562484
H 3.129378 2.806998 1.100021
H 5.080671 -2.936005 -1.510706
H 3.467743 -2.338002 -2.059360
H 3.637202 -3.145313 -0.447880
H 6.438546 -0.247499 0.138567
H 6.003307 0.095023 1.856419
H 7.104279 1.221471 0.970266


