%chk=000187730.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187730

0 1
S -1.156007 0.782712 -1.845840
O -3.196152 1.506038 1.588211
O -0.087011 0.617199 -2.818355
O -2.401147 1.390584 -2.281905
N -0.581639 1.770492 -0.556666
C -1.896552 2.173871 1.467045
C -1.557646 2.685424 0.074484
C -3.019396 2.801666 2.244618
C 0.854623 2.143334 -0.412924
C 1.664946 0.885250 -0.127293
C 1.379636 2.926190 -1.620856
C -1.480464 -0.729877 -1.083207
C 1.864014 0.504051 1.208512
C 2.225490 0.111778 -1.148816
C 2.621058 -0.629114 1.530190
C 3.193653 -1.400935 0.493813
C 2.984631 -1.018676 -0.837670
C -2.597321 -0.869502 -0.252881
C -0.625103 -1.815758 -1.300088
C 2.814749 -1.008401 2.964075
C 4.013882 -2.612625 0.800972
C -2.864012 -2.100861 0.354831
C -0.891507 -3.046413 -0.694129
C -2.012237 -3.187367 0.132621
H -1.093369 1.641760 1.988964
H -1.164853 3.724976 0.144161
H -2.494304 2.756160 -0.543215
H -3.038410 2.757524 3.330817
H -3.620565 3.601211 1.818042
H 0.938126 2.817329 0.487948
H 2.437345 3.181489 -1.495543
H 0.822980 3.855275 -1.775752
H 1.299674 2.346003 -2.557767
H 1.421301 1.094615 2.008466
H 2.055665 0.381995 -2.197868
H 3.419557 -1.605727 -1.645182
H -3.267158 -0.018158 -0.067881
H 0.254820 -1.702168 -1.944836
H 3.881090 -1.027030 3.230278
H 2.321842 -0.314165 3.655967
H 2.408247 -2.009281 3.167916
H 4.384793 -3.111525 -0.103541
H 4.892777 -2.353722 1.408612
H 3.432806 -3.355445 1.365275
H -3.733284 -2.207275 1.001991
H -0.226999 -3.891238 -0.863603
H -2.220773 -4.147262 0.605611


%chk=000187730-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187730

0 1
S -1.272722 0.718980 -1.673926
O -2.846743 1.938262 1.930791
O -0.267416 0.564555 -2.954085
O -2.811148 1.214399 -1.924218
N -0.600777 1.859347 -0.272894
C -1.886479 3.008702 1.465764
C -1.530754 2.984412 -0.011630
C -3.263733 3.390352 1.921022
C 0.865767 2.180522 -0.383591
C 1.697594 0.908077 -0.171739
C 1.257055 3.029424 -1.616353
C -1.320850 -0.938424 -0.776436
C 1.502625 0.163434 1.019481
C 2.668667 0.457531 -1.092956
C 2.242295 -1.003675 1.309015
C 3.226448 -1.451219 0.372538
C 3.418699 -0.707947 -0.815805
C -2.139065 -1.047273 0.360067
C -0.570190 -1.989577 -1.320909
C 1.985587 -1.772320 2.592834
C 4.046570 -2.699725 0.642321
C -2.197938 -2.311904 0.989917
C -0.647178 -3.245443 -0.674115
C -1.458484 -3.404173 0.473709
H -1.049890 3.151687 2.163926
H -1.105622 3.965362 -0.313517
H -2.451933 2.817630 -0.606218
H -3.405198 3.836448 2.912836
H -4.022785 3.639803 1.168661
H 1.019853 2.812357 0.520949
H 2.307781 3.361071 -1.534985
H 0.626844 3.934871 -1.680078
H 1.128261 2.455949 -2.548210
H 0.727633 0.492876 1.723084
H 2.835739 0.994448 -2.031050
H 4.167558 -1.049257 -1.540917
H -2.691328 -0.185032 0.749839
H 0.049903 -1.823562 -2.207641
H 2.899689 -1.854083 3.212457
H 1.205678 -1.282850 3.200191
H 1.648576 -2.806393 2.384309
H 4.747794 -2.904247 -0.184605
H 4.639463 -2.605012 1.572822
H 3.401613 -3.591039 0.768994
H -2.821351 -2.439437 1.881124
H -0.076982 -4.092488 -1.069906
H -1.517332 -4.381016 0.966734


