%chk=000291161.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291161

0 1
S 0.440118 1.168949 -0.511349
O -0.393497 1.453268 0.648145
O 0.440773 2.067667 -1.644139
O 0.051618 -3.393579 0.278981
O -0.427879 -3.173676 -1.899573
O -5.158421 -0.803291 -0.187051
N -0.104751 -0.333579 -1.164386
N -4.931982 1.245761 0.785677
C -0.845176 -1.285911 -0.319652
C -2.379742 -1.187586 -0.425859
C -2.944169 -0.171424 0.567493
C 2.039243 0.837990 0.009650
C -0.410671 -2.677998 -0.802654
C -4.429014 0.027589 0.332630
C 3.090243 0.820035 -0.916082
C 2.301208 0.591708 1.363742
C 4.656219 0.293293 0.861381
C 4.391632 0.549020 -0.495925
C 3.599637 0.320401 1.790204
C 6.048442 0.014772 1.315747
C -6.363250 1.575755 0.637018
H -0.530586 -1.166921 0.757338
H -2.856026 -2.176865 -0.243502
H -2.687937 -0.926590 -1.460784
H -0.412178 -0.348493 -2.149679
H -2.790718 -0.519651 1.611303
H -2.376380 0.789820 0.508719
H 2.894966 1.026724 -1.974411
H 1.483638 0.620795 2.093944
H 5.203794 0.537351 -1.221237
H 3.796197 0.130939 2.844211
H -4.340592 1.962373 1.187699
H 6.564857 0.950979 1.583434
H 6.082493 -0.633231 2.203120
H 6.656277 -0.473911 0.540814
H 0.344233 -4.313335 0.041325
H -6.498620 2.460976 -0.005519
H -6.907145 0.729892 0.167571
H -6.822354 1.768985 1.620055


%chk=000291161-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291161

0 1
S 0.326597 0.599798 0.678689
O -0.148143 0.233002 2.194234
O -0.177812 1.962534 -0.072910
O 0.005008 -3.751833 0.743186
O -1.202384 -3.741383 -1.241808
O -5.454162 -0.672065 0.064999
N -0.156481 -0.881604 -0.374935
N -4.929638 1.586160 -0.174655
C -1.227477 -1.736005 0.223379
C -2.665198 -1.381651 -0.208587
C -3.096163 0.013793 0.287907
C 2.201994 0.563851 0.603680
C -0.842473 -3.159503 -0.197256
C -4.591640 0.259338 0.043361
C 2.842014 1.487303 -0.236200
C 2.883288 -0.367019 1.403481
C 4.997125 0.546628 0.512714
C 4.253835 1.466339 -0.273328
C 4.293557 -0.364310 1.346521
C 6.514137 0.557680 0.488810
C -6.317418 2.025948 -0.358434
H -1.118558 -1.654757 1.322499
H -3.369769 -2.128285 0.201689
H -2.751877 -1.455652 -1.309636
H -0.417277 -0.488265 -1.299595
H -2.916009 0.084460 1.379769
H -2.491897 0.817191 -0.177351
H 2.256454 2.203128 -0.821852
H 2.337072 -1.060175 2.050544
H 4.782340 2.175625 -0.920302
H 4.854239 -1.080152 1.958156
H -4.182760 2.282908 -0.183324
H 6.912088 1.260479 1.246187
H 6.931517 -0.438540 0.715168
H 6.903406 0.878959 -0.492654
H 0.275635 -4.654495 0.419650
H -6.459636 2.507340 -1.343736
H -6.954811 1.128771 -0.303870
H -6.624224 2.733459 0.434210


