%chk=000286327.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286327

0 1
S -0.000019 -1.179741 0.000778
O 0.901863 -1.896842 -0.876324
O -0.901914 -1.895782 0.878735
O 0.000023 3.206303 -0.001871
O 8.355622 -0.593813 0.685542
O -8.355606 -0.594572 -0.684836
O 7.493156 -2.312878 -0.305562
O -7.493153 -2.312499 0.308249
N 7.429842 -1.185406 0.154348
N -7.429867 -1.185507 -0.152839
C 0.984453 -0.086569 0.994832
C -0.984471 -0.087732 -0.994576
C 1.236366 1.171362 0.245956
C -1.236370 1.171086 -0.247185
C 0.000004 1.998775 -0.001110
C 2.423512 1.590186 -0.217303
C -2.423509 1.590464 0.215586
C 3.694213 0.852834 -0.108512
C -3.694218 0.852999 0.107656
C 4.801691 1.489687 0.481614
C -4.801691 1.489180 -0.483207
C 3.814772 -0.452461 -0.613140
C -3.814789 -0.451710 0.613794
C 6.022178 0.824568 0.573119
C -6.022184 0.823967 -0.573939
C 5.035854 -1.121909 -0.532007
C -5.035877 -1.121240 0.533436
C 6.131550 -0.479114 0.062969
C -6.131568 -0.479123 -0.062281
H 1.937877 -0.576797 1.303515
H 0.503518 0.126385 1.977050
H -1.937901 -0.578308 -1.302683
H -0.503530 0.124053 -1.977043
H 2.504657 2.561639 -0.730672
H -2.504645 2.562518 0.727817
H 4.706023 2.503968 0.872238
H -4.706012 2.503006 -0.875007
H 2.953979 -0.957385 -1.076256
H -2.953997 -0.956109 1.077487
H 6.894081 1.304109 1.033276
H -6.894083 1.302983 -1.034650
H 5.144319 -2.140552 -0.925353
H -5.144350 -2.139427 0.927957


%chk=000286327-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286327

0 1
S -0.000413 -1.504072 -0.001768
O 1.103639 -2.306666 -0.906246
O -1.104398 -2.306217 0.903189
O -0.000314 3.162704 -0.002157
O 8.667764 -0.208133 0.346026
O -8.667838 -0.208702 -0.339229
O 7.722609 -2.263058 0.038443
O -7.722253 -2.263070 -0.029585
N 7.649703 -0.980915 0.162827
N -7.649518 -0.981168 -0.156301
C 0.964790 -0.161703 1.124178
C -0.965911 -0.162530 -1.128372
C 1.222814 1.068593 0.323418
C -1.222916 1.068422 -0.328357
C 0.000220 1.899251 -0.003739
C 2.456230 1.519338 -0.093882
C -2.455771 1.519597 0.090145
C 3.758284 0.840439 -0.026261
C -3.757903 0.840582 0.025060
C 4.927977 1.638539 0.152499
C -4.927851 1.638383 -0.153352
C 3.902564 -0.572299 -0.188173
C -3.901936 -0.571919 0.189232
C 6.201831 1.051453 0.228375
C -6.201782 1.051147 -0.226733
C 5.175399 -1.168724 -0.126388
C -5.174833 -1.168467 0.129985
C 6.304642 -0.350777 0.093730
C -6.304397 -0.350890 -0.089885
H 1.854859 -0.695288 1.482649
H 0.223096 -0.017663 1.925486
H -1.856377 -0.696185 -1.485750
H -0.224741 -0.019336 -1.930316
H 2.460849 2.535101 -0.518583
H -2.459844 2.535801 0.513794
H 4.827448 2.725107 0.250681
H -4.827479 2.724809 -0.253251
H 3.033954 -1.199358 -0.427145
H -3.033005 -1.198595 0.428046
H 7.105876 1.646303 0.380315
H -7.106036 1.645750 -0.378398
H 5.306860 -2.245721 -0.259443
H -5.306089 -2.245264 0.264832


