%chk=000237854.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237854

0 1
S 4.686024 -0.035606 0.217457
O -2.013566 1.116389 -0.027084
O 5.345616 -1.316796 0.357407
O 5.001288 1.072160 1.086589
O 6.189465 1.253436 -1.416047
N -1.167124 -1.026875 0.042563
N 4.971045 0.533984 -1.432750
C -4.699580 0.352250 -0.083388
C -6.094777 -0.280851 -0.105193
C -3.600220 -0.718452 -0.027159
C -7.189770 0.794385 -0.161045
C -2.230986 -0.073423 -0.005684
C -8.585348 0.176259 -0.183011
C 0.223307 -0.736327 0.081230
C 2.988112 -0.297716 0.155882
C 1.114970 -1.837577 0.109027
C 0.725520 0.579301 0.095311
C 2.484848 -1.605825 0.147566
C 2.101126 0.786658 0.136272
H -4.598091 1.037105 0.783774
H -4.550711 0.993580 -0.976487
H -6.194354 -0.958698 -0.974829
H -6.241629 -0.915006 0.790377
H -3.695023 -1.397746 -0.900251
H -3.742545 -1.353144 0.872874
H -7.048534 1.430815 -1.057068
H -7.095700 1.474377 0.708839
H -8.728454 -0.472220 -1.054818
H -9.359631 0.951492 -0.222809
H -8.775538 -0.428412 0.711041
H -1.410582 -2.021278 0.053810
H 0.741363 -2.858242 0.104564
H 0.040250 1.435405 0.077573
H 3.178385 -2.457189 0.177151
H 2.487067 1.812547 0.157937
H 5.137243 -0.187933 -2.151072
H 5.899238 2.224974 -1.358650


%chk=000237854-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237854

0 1
S 4.770676 -0.615507 -0.671002
O -1.966983 1.302336 0.188832
O 5.227616 -2.187552 -0.635712
O 5.206638 0.150338 0.978442
O 6.363032 2.226461 -0.616074
N -1.234515 -0.926989 0.274220
N 5.356248 2.060429 -1.400003
C -4.698117 0.221811 -0.237298
C -6.136516 -0.120807 0.207558
C -3.625187 -0.442659 0.658965
C -7.213014 0.516178 -0.701030
C -2.215998 0.072149 0.348657
C -8.652055 0.194663 -0.243258
C 0.160621 -0.790417 0.050959
C 2.924143 -0.670417 -0.369958
C 0.935808 -1.984444 0.015211
C 0.792541 0.472687 -0.130502
C 2.323642 -1.930397 -0.198577
C 2.185235 0.527245 -0.338802
H -4.541178 1.316263 -0.209339
H -4.546962 -0.093030 -1.289393
H -6.276252 -1.222467 0.219813
H -6.289707 0.224630 1.251602
H -3.683091 -1.546320 0.575581
H -3.841450 -0.189519 1.717053
H -7.066449 0.163518 -1.742263
H -7.066420 1.615009 -0.721671
H -8.833362 -0.896873 -0.238458
H -9.401337 0.658319 -0.910620
H -8.835016 0.569352 0.781519
H -1.566226 -1.885258 0.407944
H 0.449057 -2.957541 0.157272
H 0.189801 1.381644 -0.102039
H 2.943031 -2.833664 -0.227240
H 2.685480 1.492250 -0.466446
H 5.675215 2.229956 -2.417667
H 5.793754 0.944422 0.763624


