%chk=000207261.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207261

0 1
S 0.109894 -0.968558 0.052905
O 2.977346 -3.362925 -1.149792
O 2.831068 2.936251 1.521769
O -3.095864 2.077006 -0.545563
N 2.158961 -0.996415 0.268449
C 2.501894 0.234718 1.075703
C 2.813712 -0.926801 -1.088475
C 2.584923 -2.246209 0.993478
C 1.406019 1.230448 0.836263
C 2.527068 -2.207151 -1.885314
C 2.320752 -3.486918 0.125482
C 0.160009 0.777968 0.380179
C -0.909037 1.652296 0.186261
C 1.570735 2.606369 1.082939
C -0.709689 3.026970 0.442163
C 0.514858 3.514275 0.885163
C -2.256057 1.230851 -0.274758
C -2.566917 -0.213863 -0.372553
C -1.616806 -1.222630 -0.220511
C -3.910683 -0.566705 -0.638766
C -1.991048 -2.573914 -0.326053
C -4.284388 -1.900280 -0.742630
C -3.316654 -2.907972 -0.584336
C 3.110880 4.332001 1.799047
H 3.495490 0.665355 0.818098
H 2.542965 -0.006653 2.163651
H 3.913142 -0.783016 -1.001231
H 2.407374 -0.041600 -1.628222
H 2.003331 -2.320578 1.939938
H 3.662851 -2.208468 1.264760
H 1.453691 -2.321053 -2.124838
H 3.130380 -2.262932 -2.809216
H 2.791647 -4.392421 0.549498
H 1.241434 -3.660730 -0.035750
H -1.551675 3.712008 0.279007
H 0.640694 4.575195 1.072439
H -4.646624 0.233907 -0.762984
H -1.249791 -3.361346 -0.203886
H -5.318145 -2.167873 -0.946086
H -3.611592 -3.953551 -0.664994
H 3.000752 4.928838 0.888910
H 4.160011 4.289939 2.119616
H 2.467287 4.693769 2.606439


%chk=000207261-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207261

0 1
S -0.553537 -1.278253 0.367657
O 4.268373 -2.763654 -1.283707
O 2.776828 2.512883 1.380477
O -3.249487 2.219694 -0.803124
N 2.488386 -1.163679 0.353371
C 2.094821 -0.200988 1.416692
C 3.305226 -0.542954 -0.720044
C 3.161066 -2.367020 0.902514
C 1.123876 0.851960 0.904733
C 3.584476 -1.574951 -1.823808
C 3.437965 -3.369790 -0.229765
C -0.175420 0.505414 0.438684
C -1.115976 1.499603 0.031218
C 1.484687 2.227984 0.919363
C -0.700360 2.858716 0.064986
C 0.576852 3.233505 0.490211
C -2.521836 1.249559 -0.396728
C -3.096757 -0.123145 -0.311491
C -2.348843 -1.276215 0.044975
C -4.483047 -0.278539 -0.604421
C -2.970903 -2.550473 0.101601
C -5.104400 -1.534707 -0.545395
C -4.341352 -2.678122 -0.188975
C 3.205259 3.915982 1.421496
H 2.975606 0.302808 1.870613
H 1.594749 -0.789833 2.212434
H 4.274753 -0.155772 -0.317701
H 2.748028 0.311385 -1.146853
H 2.499108 -2.834644 1.656777
H 4.127721 -2.106688 1.403501
H 2.627098 -1.878983 -2.298660
H 4.265583 -1.165789 -2.588167
H 4.011769 -4.236942 0.137028
H 2.473583 -3.712423 -0.663202
H -1.434953 3.603808 -0.257253
H 0.857775 4.289686 0.498279
H -5.034144 0.626749 -0.878885
H -2.381414 -3.432713 0.375444
H -6.170802 -1.634404 -0.772436
H -4.815700 -3.664260 -0.137095
H 3.201666 4.366190 0.410804
H 4.233007 3.885853 1.811234
H 2.564868 4.510760 2.099820


