%chk=000209296.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209296

0 1
S 2.282379 1.038673 2.020498
S 2.272916 0.764806 -1.412240
P 2.574348 -0.094165 0.288272
O -2.826754 -1.312230 1.117016
O -1.435851 -1.348104 -0.667598
O -0.894994 1.948862 2.558059
O 4.078441 -0.701650 0.553048
O 1.616041 -1.351609 0.706209
N -0.772109 1.351284 0.358203
C -4.477491 1.079097 -0.649295
C -2.973981 1.403124 -0.797466
C -2.143370 0.805825 0.349487
C -5.097091 1.858815 0.515206
C -5.206814 1.392898 -1.960815
C -2.046817 -0.717893 0.163912
C -0.234582 1.873996 1.538178
C 1.189892 2.372618 1.445617
C -2.844992 -2.774721 1.193615
C -1.592649 -3.258386 1.891959
C 5.177078 -0.165404 -0.259092
C 1.215812 -2.305195 -0.327611
C 6.392998 -0.813297 0.374709
C 2.359347 -3.215580 -0.718534
H -4.587379 -0.015628 -0.437760
H -2.600063 1.036217 -1.774635
H -2.829861 2.502430 -0.820220
H -2.636902 1.025408 1.347978
H -6.153249 1.600659 0.648929
H -4.587539 1.641136 1.462623
H -5.043358 2.941446 0.357877
H -4.814753 0.799384 -2.793870
H -6.277227 1.172123 -1.879177
H -5.115355 2.449476 -2.235452
H -0.243665 1.282374 -0.515622
H 1.329165 3.216800 2.162534
H 1.463494 2.785941 0.452023
H -2.952455 -3.179500 0.172322
H -3.765187 -2.939279 1.783929
H -0.691581 -3.093612 1.268208
H -1.421818 -2.713818 2.832110
H -1.645662 -4.326320 2.128699
H 5.205800 0.937289 -0.183232
H 5.031324 -0.481427 -1.310088
H 0.748469 -1.776854 -1.183878
H 0.406517 -2.840564 0.234276
H 6.499231 -0.517169 1.428119
H 6.307684 -1.909236 0.368903
H 7.313728 -0.538989 -0.152594
H 3.010526 -2.779622 -1.486950
H 2.993850 -3.457806 0.147492
H 1.984409 -4.165022 -1.122181


%chk=000209296-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209296

0 1
S 2.173769 0.618478 2.228708
S 1.988451 0.755299 -1.488134
P 2.478475 -0.393526 0.190040
O -2.908614 -1.084865 1.618224
O -1.687108 -1.336625 -0.354269
O -0.991007 2.207074 2.735545
O 4.121446 -0.951406 0.276007
O 1.656738 -1.883476 0.427190
N -0.839215 1.380279 0.551142
C -4.402753 1.014532 -0.989544
C -2.925182 1.456882 -0.817228
C -2.241017 0.934067 0.469137
C -5.296333 1.481445 0.184943
C -4.946536 1.542556 -2.338185
C -2.241291 -0.605220 0.502364
C -0.306558 1.924773 1.706663
C 1.204917 2.155761 1.654854
C -2.848306 -2.565474 1.860195
C -1.581973 -2.910558 2.648842
C 5.206473 0.067610 0.132592
C 1.182651 -2.658539 -0.774339
C 6.519532 -0.694790 0.278378
C 2.340879 -3.304026 -1.532486
H -4.429108 -0.095525 -1.025362
H -2.340087 1.110273 -1.693075
H -2.871075 2.563360 -0.798076
H -2.744372 1.305937 1.375551
H -6.350504 1.199125 0.006993
H -4.989241 1.030134 1.145342
H -5.255498 2.582438 0.294190
H -4.330977 1.191279 -3.187363
H -5.985295 1.203914 -2.507457
H -4.946095 2.649713 -2.353220
H -0.216959 1.173349 -0.244014
H 1.480356 2.932040 2.384635
H 1.571570 2.424013 0.647085
H -2.878898 -3.081712 0.884455
H -3.766980 -2.770831 2.431757
H -0.673505 -2.674732 2.068550
H -1.546814 -2.346490 3.596285
H -1.574426 -3.990612 2.887340
H 5.083663 0.831831 0.924771
H 5.112080 0.550466 -0.858636
H 0.575009 -1.986153 -1.404736
H 0.515119 -3.401229 -0.309810
H 6.581197 -1.182728 1.265439
H 6.611657 -1.468264 -0.502602
H 7.368900 0.006142 0.179226
H 2.978915 -2.544582 -2.017878
H 2.967998 -3.909081 -0.856137
H 1.935833 -3.964722 -2.322190


