%chk=000191083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191083

0 1
S -0.818411 2.030326 2.126113
O 3.212025 0.213846 2.945743
O -1.660123 -1.387207 1.586002
O 0.726546 -2.109597 -1.820168
N 0.396079 0.050217 -1.183195
N 4.647815 1.091938 -0.088326
N 4.777042 -1.014328 -1.277597
N 2.847621 2.574807 -0.375268
C -0.214505 0.981548 -0.259143
C 0.094857 0.964936 1.052786
C 1.440641 0.555549 -2.118858
C 1.123424 0.113559 1.708017
C -1.612405 0.875250 3.297306
C -2.895524 0.325764 2.702484
C 2.807318 0.381060 -1.526273
C -1.206754 1.908587 -0.881831
C 1.960694 0.879689 2.745062
C -2.636059 -0.659429 1.577480
C -3.635230 -0.736735 0.476146
C 3.412533 1.331354 -0.659761
C 0.170387 -1.339547 -1.058390
C 3.539986 -0.790716 -1.788055
C -3.656820 -1.896255 -0.320611
C -4.532621 0.303724 0.194770
C -5.461462 -0.969392 -1.651239
C -4.562681 -2.014197 -1.371683
C -5.437485 0.192054 -0.859687
C 5.298622 -0.059340 -0.437404
C -6.426374 -1.102392 -2.780663
C 6.642252 -0.306797 0.155306
H 1.234772 1.616321 -2.377663
H 1.356070 -0.028310 -3.070730
H 0.633222 -0.770500 2.184383
H 1.813357 -0.343471 0.961962
H -1.809985 1.456858 4.219181
H -0.914342 0.054968 3.567511
H -3.479185 -0.208591 3.488207
H -3.558877 1.155046 2.371630
H -1.293855 1.770912 -1.969652
H -0.962645 2.964946 -0.703510
H -2.215339 1.739367 -0.467152
H 2.145510 1.926526 2.449998
H 1.507593 0.854134 3.753787
H -0.550861 -1.630077 -0.271347
H 3.114441 -1.591686 -2.417510
H -2.952896 -2.706504 -0.104787
H -4.521506 1.212229 0.803178
H -4.571634 -2.917201 -1.981212
H -6.127700 1.007187 -1.069336
H 3.815824 0.365398 2.185950
H 1.841149 2.654456 -0.386127
H 3.304835 3.138581 0.333729
H -5.904246 -1.259552 -3.737161
H -7.094227 -1.965641 -2.636692
H -7.067302 -0.219849 -2.907293
H 7.386828 -0.515758 -0.630669
H 6.624107 -1.192530 0.812373
H 7.001806 0.548769 0.747990


%chk=000191083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191083

0 1
S -0.775285 2.217600 1.821692
O 3.337520 0.229483 2.827358
O -1.843340 -1.053380 0.947949
O 1.149403 -1.742730 -2.371112
N 0.989072 0.417713 -1.475199
N 4.990169 0.878415 0.374612
N 5.290599 -1.048858 -1.071971
N 3.435648 2.555370 -0.075335
C 0.240109 1.319922 -0.616138
C 0.284579 1.136540 0.744653
C 2.183716 0.865507 -2.255723
C 1.217070 0.186587 1.470589
C -1.671302 0.947071 2.925920
C -3.035899 0.530478 2.360594
C 3.467416 0.539929 -1.510922
C -0.621714 2.317858 -1.364761
C 2.049685 0.883400 2.598322
C -2.941738 -0.469669 1.198441
C -4.167247 -0.764327 0.392706
C 3.959239 1.326340 -0.417751
C 0.587687 -0.912723 -1.600725
C 4.195981 -0.632553 -1.788619
C -4.068823 -1.691914 -0.682886
C -5.428593 -0.167306 0.660177
C -6.457315 -1.406620 -1.204229
C -5.192188 -2.003807 -1.465992
C -6.553787 -0.488119 -0.127163
C 5.620279 -0.285663 0.013150
C -7.662758 -1.743964 -2.060326
C 6.733306 -0.767904 0.907659
H 2.080002 1.945607 -2.467644
H 2.172958 0.320666 -3.216119
H 0.645509 -0.660618 1.892753
H 1.917722 -0.256685 0.742146
H -1.784909 1.461973 3.893855
H -1.005142 0.080405 3.049647
H -3.633311 0.045235 3.163856
H -3.606074 1.425163 2.050077
H -0.014459 2.963020 -2.030831
H -1.183235 2.968421 -0.676546
H -1.341502 1.783729 -2.014641
H 2.182408 1.957392 2.355843
H 1.518754 0.824181 3.563692
H -0.279948 -1.158461 -0.953350
H 3.877989 -1.286996 -2.607606
H -3.096790 -2.157192 -0.878086
H -5.544125 0.545279 1.483483
H -5.096673 -2.719380 -2.291490
H -7.520445 -0.020796 0.093878
H 3.996276 0.520562 2.131846
H 2.543940 2.880109 -0.438622
H 3.865762 3.050102 0.704811
H -7.516308 -1.404472 -3.103309
H -7.832840 -2.835859 -2.098840
H -8.581626 -1.269120 -1.677335
H 7.256648 -1.608352 0.428872
H 6.321956 -1.110927 1.876005
H 7.442277 0.048640 1.126781


