%chk=000238000.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238000

0 1
S -1.405538 3.119700 -0.880731
S 2.926116 2.364897 -1.006538
O -4.492313 -0.176936 -0.921382
O 3.068457 -1.285269 2.815249
O -3.695911 -2.263797 -0.936597
O 0.902794 -1.066414 2.308627
N -1.324691 -1.297732 0.311342
N 1.934913 -2.734646 0.033924
C -2.417677 0.936276 0.438193
C 2.291592 -0.245700 -0.361712
C -2.621293 -0.591202 0.527028
C 2.578238 -1.487995 0.507860
C -1.951169 1.388273 -0.937606
C 2.931788 1.009983 0.205030
C 0.331017 2.992104 -0.340391
C 1.184528 2.552409 -1.503056
C -3.596318 -1.137551 -0.512676
C 2.031360 -1.266762 1.919943
H -3.376418 1.438673 0.694618
H -1.694676 1.240578 1.223738
H 1.191205 -0.108306 -0.465423
H 2.665813 -0.441672 -1.389870
H -3.085032 -0.822459 1.530201
H 3.690556 -1.657245 0.581676
H -2.785346 1.341056 -1.670764
H -1.150955 0.730815 -1.329754
H 4.002258 0.849624 0.455942
H 2.436140 1.334981 1.139493
H 0.406742 2.309095 0.526676
H 0.617860 4.000412 0.027218
H 1.192310 3.311205 -2.317391
H 0.820304 1.613813 -1.964076
H -1.460100 -2.308560 0.368037
H -0.658814 -1.038751 1.049634
H 2.463462 -3.153801 -0.725369
H 0.985828 -2.568759 -0.298019
H -5.159282 -0.531615 -1.570693
H 2.773853 -1.178324 3.760718


%chk=000238000-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238000

0 1
S -1.385966 3.081920 -1.077849
S 3.189136 2.585681 -0.871842
O -4.732518 -0.380854 -0.660761
O 3.129745 -1.244497 2.765786
O -3.545392 -2.328688 -1.089256
O 0.877180 -0.926913 2.354576
N -1.406938 -1.485676 0.470642
N 1.512748 -2.492191 -0.078733
C -2.366923 0.833981 0.386703
C 2.354310 -0.128739 -0.369741
C -2.644473 -0.690443 0.536315
C 2.405856 -1.459380 0.455651
C -1.840529 1.239538 -0.998016
C 3.080725 1.065995 0.266600
C 0.384871 3.012725 -0.385815
C 1.397814 2.721324 -1.496146
C -3.634368 -1.233421 -0.492203
C 2.024721 -1.186770 1.916961
H -3.296480 1.388321 0.603332
H -1.630370 1.109101 1.166486
H 1.284128 0.110967 -0.515166
H 2.783292 -0.345215 -1.366114
H -3.181646 -0.803815 1.513141
H 3.440501 -1.842795 0.464584
H -2.612347 1.109312 -1.775661
H -0.956814 0.645103 -1.283238
H 4.138666 0.830470 0.478363
H 2.602860 1.374025 1.212915
H 0.401738 2.246903 0.409011
H 0.567284 3.995977 0.077660
H 1.434531 3.550384 -2.222370
H 1.146179 1.800811 -2.048383
H -1.594326 -2.487061 0.337022
H -0.762972 -1.302829 1.255556
H 1.942148 -3.171079 -0.706316
H 0.579281 -2.159751 -0.354810
H -5.379544 -0.801460 -1.289591
H 2.845494 -1.060561 3.703808


