%chk=000292531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292531

0 1
S 6.412198 -0.026414 -0.117505
O -2.255938 -1.508847 -0.715753
O -4.958741 -1.152838 0.319014
N 0.572547 1.014773 0.355316
C -0.400807 0.590430 -0.689810
C -1.811507 0.783693 -0.198373
C -2.708640 -0.299438 -0.197510
C 1.931357 0.667474 0.222845
C -2.259648 2.035944 0.245959
C -4.042311 -0.114571 0.229071
C -3.570808 2.205089 0.698857
C -4.471187 1.137001 0.687851
C 2.506232 0.351619 -1.029611
C 2.752579 0.731563 1.378581
C 3.877717 0.119517 -1.119940
C 4.119492 0.499410 1.268369
C 4.677782 0.190335 0.023060
C -2.218393 -2.586677 0.262379
C -5.266745 -1.792954 -0.950912
C 6.619581 -1.807724 0.143232
H -0.242192 -0.474405 -0.997805
H -0.232664 1.215987 -1.600637
H 0.194064 0.988045 1.302910
H -1.570049 2.882092 0.240210
H -3.898859 3.182016 1.054239
H -5.499335 1.256622 1.027190
H 1.895591 0.304470 -1.925461
H 2.321228 0.976829 2.344402
H 4.321708 -0.115917 -2.089565
H 4.752719 0.558827 2.156039
H -3.200546 -2.715636 0.731800
H -1.446652 -2.372444 1.006090
H -1.949336 -3.449801 -0.355777
H -4.351333 -2.124574 -1.454227
H -5.832030 -1.094598 -1.574049
H -5.886798 -2.639533 -0.637245
H 6.267247 -2.114535 1.132589
H 7.691113 -2.030305 0.069501
H 6.089563 -2.391126 -0.615623


%chk=000292531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292531

0 1
S 6.654511 0.392641 -0.335877
O -2.549875 -1.722072 -0.661022
O -5.227829 -0.982728 0.163769
N 0.612054 0.520924 0.468849
C -0.377064 0.163122 -0.558767
C -1.784031 0.529994 -0.108654
C -2.833024 -0.424832 -0.166856
C 1.990475 0.461583 0.271679
C -2.071679 1.834449 0.370504
C -4.157765 -0.058903 0.216049
C -3.371849 2.179625 0.797617
C -4.417893 1.233444 0.715380
C 2.558067 0.091768 -0.985403
C 2.876154 0.790940 1.344739
C 3.958109 0.065743 -1.154568
C 4.269941 0.755272 1.163659
C 4.827419 0.391030 -0.088229
C -2.737253 -2.814109 0.326271
C -5.585237 -1.445608 -1.198771
C 7.053144 -1.394634 0.154979
H -0.340484 -0.915749 -0.808305
H -0.139200 0.716972 -1.492102
H 0.263883 0.679065 1.414284
H -1.263617 2.573911 0.405165
H -3.577190 3.186900 1.174834
H -5.441383 1.477067 1.017389
H 1.912955 -0.179186 -1.826493
H 2.460953 1.084227 2.317529
H 4.381934 -0.208376 -2.126973
H 4.935446 1.021069 1.992254
H -3.770237 -2.815568 0.716859
H -2.018288 -2.699177 1.159228
H -2.528331 -3.743874 -0.224143
H -4.719582 -1.917740 -1.696679
H -5.949045 -0.593798 -1.803942
H -6.395723 -2.176053 -1.054902
H 6.762214 -1.570778 1.202013
H 8.142688 -1.514243 0.040541
H 6.524831 -2.092917 -0.512206


