%chk=000298393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298393

0 1
S -0.953621 -0.213031 0.027038
O -0.014531 1.319897 1.953640
O 2.206192 -0.282451 2.229195
N -4.799903 -0.265806 0.119307
C -3.020768 1.439947 -0.716222
C -2.495055 0.654096 0.501671
C -4.299819 2.181865 -0.253561
C -3.409563 0.468817 -1.853089
C -3.545941 -0.388272 0.935919
C -5.326977 1.135564 0.244111
C -4.463434 -0.531287 -1.320256
C 0.257679 0.497058 1.127279
C 1.669993 -0.095093 0.907027
C 2.561232 0.861986 0.131220
C 1.598830 -1.482487 0.297658
C 2.048354 1.762236 -0.810921
C 1.626405 -1.654530 -1.093765
C 3.942858 0.812666 0.371128
C 1.503817 -2.599388 1.141181
C 2.915207 2.615667 -1.500991
C 1.546646 -2.940533 -1.635296
C 4.804136 1.667096 -0.320333
C 1.429281 -3.882210 0.592960
C 4.291065 2.571089 -1.256679
C 1.447328 -4.054054 -0.794822
H -2.262856 2.169037 -1.073162
H -2.259348 1.351935 1.342617
H -4.716958 2.771636 -1.087124
H -4.061612 2.906781 0.542830
H -2.523180 -0.064196 -2.238714
H -3.811935 1.035880 -2.710175
H -3.178932 -1.433887 0.849453
H -3.810338 -0.250919 2.006083
H -5.592939 1.314081 1.305305
H -6.271237 1.201709 -0.332745
H -5.399562 -0.474705 -1.910945
H -4.099292 -1.575255 -1.405505
H 2.215708 0.579232 2.717769
H 0.979351 1.807568 -1.018446
H 1.712760 -0.793524 -1.756876
H 4.335232 0.099144 1.100306
H 1.497060 -2.458057 2.224800
H 2.514398 3.317555 -2.230856
H 1.563681 -3.073892 -2.715446
H 5.875910 1.626877 -0.131038
H 1.355952 -4.747841 1.249050
H 4.962615 3.238038 -1.795081
H 1.385411 -5.053938 -1.220699


%chk=000298393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298393

0 1
S -1.069729 -0.730463 0.022784
O -0.197240 1.031617 1.919059
O 2.250764 -0.071924 2.234691
N -4.970835 0.040784 -0.453865
C -2.852697 1.529992 -0.198697
C -2.665999 0.189657 0.554914
C -4.083530 2.240096 0.441609
C -3.142137 1.274062 -1.701699
C -3.920111 -0.715614 0.284627
C -5.324380 1.281173 0.304039
C -4.455905 0.414791 -1.807873
C 0.137116 0.160876 1.077017
C 1.652500 -0.212079 0.896005
C 2.321161 0.789006 -0.078042
C 1.843961 -1.678238 0.477829
C 1.630494 1.429369 -1.135619
C 2.013320 -2.044504 -0.879424
C 3.704805 1.046128 0.098633
C 1.811590 -2.689660 1.471053
C 2.310856 2.320914 -1.997658
C 2.136143 -3.405043 -1.240887
C 4.383562 1.930818 -0.765881
C 1.939928 -4.047199 1.108918
C 3.688672 2.574074 -1.817568
C 2.097525 -4.411024 -0.249423
H -1.953448 2.156954 -0.072778
H -2.511279 0.392297 1.629307
H -4.258405 3.199586 -0.080935
H -3.877049 2.478036 1.501929
H -2.285367 0.750000 -2.165637
H -3.255566 2.243622 -2.221586
H -3.658496 -1.606553 -0.314420
H -4.343784 -1.073298 1.239992
H -5.700772 0.971817 1.296009
H -6.157196 1.776097 -0.226797
H -5.256511 0.970491 -2.328265
H -4.278602 -0.517729 -2.373395
H 1.850464 0.743570 2.644903
H 0.563518 1.236744 -1.294939
H 2.060750 -1.271349 -1.653191
H 4.229487 0.553443 0.922841
H 1.708577 -2.396090 2.519545
H 1.762902 2.815383 -2.807761
H 2.267625 -3.676681 -2.294269
H 5.452847 2.120234 -0.618677
H 1.918956 -4.821210 1.884445
H 4.214880 3.264936 -2.485838
H 2.195934 -5.465811 -0.530225


