%chk=000299226.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299226

0 1
S -2.887940 1.432955 0.937290
O 2.720328 3.409904 -0.165970
O 0.685880 2.714107 -0.323062
O 6.080834 -1.694224 0.610445
O 6.410418 0.437263 0.425047
O -3.439080 2.994388 -1.684856
O -4.246154 4.523752 -0.258343
N 0.100666 0.204229 -0.147153
N -0.728185 -0.896673 -0.071375
N 1.900040 2.514309 -0.175915
N 5.691631 -0.547737 0.460513
C -2.014751 -0.786253 -0.259303
C 1.457615 0.016917 0.019742
C -2.783092 -2.059161 -0.137550
C -2.814350 0.436742 -0.577712
C 2.347255 1.144939 -0.008084
C 2.022242 -1.290011 0.206283
C 3.739692 0.940416 0.138295
C 4.245174 -0.337593 0.310697
C -2.951650 -2.657883 1.118141
C -3.343816 -2.639206 -1.285268
C 3.371702 -1.466374 0.347037
C -3.695723 -3.837019 1.224358
C -4.082208 -3.819170 -1.168678
C -4.260841 -4.416648 0.084373
C -2.381549 3.080259 0.408301
C -3.448421 3.646476 -0.463203
H -2.410767 1.011883 -1.440939
H -3.855626 0.184038 -0.881668
H 1.341655 -2.150678 0.234443
H -0.279779 1.174209 -0.258427
H 4.419387 1.812550 0.114131
H 3.809591 -2.464210 0.489093
H -2.503115 -2.208686 2.004307
H -3.198205 -2.179352 -2.261282
H -3.832040 -4.305011 2.199080
H -4.518212 -4.276227 -2.056517
H -4.839196 -5.336068 0.170671
H -2.253712 3.700532 1.329131
H -1.386182 3.098625 -0.095956
H -4.128413 3.346694 -2.310219


%chk=000299226-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299226

0 1
S -2.781697 1.606897 0.724493
O 2.762507 3.405872 -0.223308
O 0.642892 2.579700 -0.342743
O 6.269868 -1.621712 1.133249
O 6.538057 0.626366 0.817189
O -3.795404 2.794698 -2.173085
O -4.653612 4.476736 -0.814453
N 0.212592 0.039691 -0.010783
N -0.604802 -1.071531 0.060694
N 1.939144 2.420748 -0.151083
N 5.809437 -0.438816 0.880926
C -1.888227 -0.895851 -0.256194
C 1.567140 -0.072377 0.209833
C -2.773176 -2.078772 -0.129091
C -2.454084 0.419938 -0.748474
C 2.437343 1.081463 0.148563
C 2.162742 -1.342629 0.502794
C 3.827212 0.956153 0.369087
C 4.358757 -0.306246 0.651231
C -2.224367 -3.393535 -0.087895
C -4.185157 -1.924210 -0.033275
C 3.531450 -1.463825 0.722078
C -3.063249 -4.516414 0.035941
C -5.022297 -3.052279 0.098913
C -4.467451 -4.351949 0.128921
C -2.595460 3.286044 -0.145121
C -3.779061 3.612521 -1.026161
H -1.749918 0.941808 -1.420942
H -3.393744 0.286856 -1.297464
H 1.498916 -2.207276 0.554240
H -0.132940 1.011926 -0.145518
H 4.471308 1.837584 0.316720
H 3.990749 -2.429064 0.950367
H -1.139634 -3.512667 -0.162488
H -4.632638 -0.924334 -0.026475
H -2.627888 -5.521369 0.055795
H -6.105848 -2.916771 0.183026
H -5.119641 -5.226905 0.223854
H -2.536439 4.020960 0.670780
H -1.650115 3.283539 -0.710645
H -4.582162 3.036035 -2.733600


