%chk=000256173.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256173

0 1
S 2.446841 1.927072 0.752270
O -1.248386 2.329608 -0.713812
O 1.795598 1.893601 2.050188
O 3.396730 2.983556 0.459245
O -5.708360 -1.676009 -0.083941
N 1.165190 2.076182 -0.400356
C -0.082935 2.865795 -0.151401
C 0.932245 3.326412 -1.178336
C 3.128232 0.393337 0.389179
C -1.794200 1.187615 0.017046
C -3.155226 0.979262 -0.644862
C 4.136294 0.283391 -0.576126
C 2.678139 -0.749650 1.061146
C -3.856057 -0.251695 -0.070584
C 4.688799 -0.961694 -0.874266
C 3.226521 -1.997371 0.767666
C -5.218261 -0.461663 -0.730299
C 4.234728 -2.112842 -0.206189
C 4.831917 -3.444346 -0.514039
C -6.963889 -2.099764 -0.491673
C -7.432015 -3.208307 0.082856
H -0.260431 3.348795 0.816368
H 1.547578 4.215930 -1.001129
H 0.725982 3.178220 -2.246723
H -1.868300 1.437294 1.088208
H -1.106215 0.337068 -0.130753
H -3.774775 1.889067 -0.510497
H -3.013269 0.880585 -1.741609
H 4.500728 1.177862 -1.093960
H 1.899161 -0.663662 1.827660
H -3.989926 -0.157934 1.027127
H -3.237447 -1.162767 -0.210742
H 5.473705 -1.040618 -1.624235
H 2.874468 -2.882013 1.295144
H -5.922288 0.361623 -0.525276
H -5.142723 -0.642568 -1.815367
H 5.699251 -3.640673 0.136663
H 4.123428 -4.270505 -0.360146
H 5.187442 -3.517939 -1.551485
H -7.460410 -1.497077 -1.241439
H -8.392755 -3.632783 -0.151791
H -6.879410 -3.761095 0.827769


%chk=000256173-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256173

0 1
S 2.249245 1.521065 0.844079
O -1.402850 2.131159 -0.930658
O 1.370252 1.088403 2.147685
O 3.100061 2.920472 0.824680
O -6.405667 -1.363439 0.188374
N 1.001749 1.518803 -0.667456
C -0.161410 2.511477 -0.386998
C 0.939431 2.913569 -1.314838
C 3.404237 0.115227 0.388806
C -2.155717 1.192397 -0.056470
C -3.474212 0.881936 -0.765588
C 4.587975 0.426987 -0.297174
C 3.046490 -1.187255 0.770469
C -4.344789 -0.101056 0.050149
C 5.454291 -0.639272 -0.624543
C 3.930692 -2.233982 0.430485
C -5.658262 -0.419072 -0.667156
C 5.140133 -1.978199 -0.269968
C 6.094222 -3.110686 -0.601640
C -7.649100 -1.770091 -0.315026
C -8.450922 -2.630679 0.357145
H -0.190737 2.934169 0.629956
H 1.660807 3.659972 -0.953040
H 0.783085 2.865356 -2.396697
H -2.327557 1.671013 0.930743
H -1.546115 0.279688 0.093602
H -4.019479 1.830616 -0.935366
H -3.245658 0.458011 -1.762490
H 4.828546 1.465140 -0.547579
H 2.121175 -1.370229 1.325564
H -4.578877 0.322545 1.045488
H -3.798650 -1.048016 0.223227
H 6.386370 -0.427079 -1.160490
H 3.677676 -3.262122 0.713505
H -6.259690 0.502136 -0.818788
H -5.465672 -0.885303 -1.656606
H 6.795478 -3.290575 0.236124
H 5.554326 -4.055860 -0.784828
H 6.701208 -2.882570 -1.494601
H -7.933303 -1.346303 -1.291563
H -9.413249 -2.923565 -0.069279
H -8.159833 -3.045488 1.326261


