%chk=000198462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198462

0 1
S -1.171383 -0.040665 1.519757
O 1.796178 1.164271 0.742466
O 0.271826 1.952071 -0.688363
N -0.702947 -0.746569 -1.024981
C 0.069098 -0.374426 0.161942
C 1.065033 -1.430974 0.631029
C -2.009757 -0.028613 -1.027153
C -2.600247 0.023867 0.387308
C 0.664008 1.020585 -0.030715
C 2.138193 -1.719240 -0.414724
H 0.531882 -2.365523 0.902162
H 1.555265 -1.080319 1.569359
H -0.827510 -1.763396 -1.089282
H -2.699947 -0.510763 -1.748371
H -1.817896 1.009075 -1.406653
H -3.165126 0.956613 0.564858
H -3.274710 -0.822350 0.601413
H 1.710746 -2.016722 -1.379779
H 2.762170 -0.832461 -0.595621
H 2.804186 -2.524217 -0.083187
H 2.170539 2.085055 0.691936


%chk=000198462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198462

0 1
S -1.223097 0.060286 1.654871
O 1.734154 1.264054 0.879791
O 0.413436 1.889479 -0.918983
N -0.724511 -0.746120 -0.967684
C 0.100649 -0.350782 0.135597
C 1.081127 -1.441149 0.596461
C -1.991425 0.010864 -1.019346
C -2.642115 0.004781 0.406902
C 0.721293 1.031166 -0.062727
C 2.163002 -1.771125 -0.459412
H 0.486906 -2.342409 0.844189
H 1.562463 -1.107089 1.529536
H -0.862997 -1.764670 -0.987994
H -2.665110 -0.439936 -1.768268
H -1.766872 1.045051 -1.320451
H -3.277875 0.892341 0.553779
H -3.228624 -0.911838 0.585557
H 1.716454 -2.094925 -1.416286
H 2.797473 -0.890159 -0.662358
H 2.818031 -2.581313 -0.091970
H 2.057240 2.198793 0.772197


