%chk=000218161.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218161

0 1
S -2.353893 0.054376 1.768501
S -2.061373 1.463252 0.301799
O 4.674061 2.943910 -1.589808
O -0.392101 1.389520 0.165480
O -2.559042 0.948811 -0.934070
O -2.332750 2.760114 0.819870
N -0.538963 -2.614105 0.993553
N -1.239215 -1.703808 -1.169034
C 1.978294 -0.958964 -0.104624
C 3.206727 -0.078681 0.165848
C 1.901417 -2.126773 0.884631
C 3.299578 1.069000 -0.845456
C 0.771803 -3.121765 0.560327
C 4.488927 1.982736 -0.539934
C -1.347035 -1.949263 0.227586
C -2.643940 -1.484444 0.846632
H 1.057978 -0.339901 -0.027342
H 2.015150 -1.339846 -1.142724
H 4.128106 -0.692405 0.123184
H 3.158118 0.323819 1.196482
H 1.760450 -1.737938 1.914687
H 2.862540 -2.676957 0.898538
H 3.405558 0.667542 -1.874290
H 2.358342 1.650129 -0.853463
H 0.930587 -4.056832 1.153256
H 0.808837 -3.426886 -0.506924
H 5.452060 1.436847 -0.546025
H 4.374584 2.516835 0.419229
H -3.007072 -2.229190 1.598046
H -3.461557 -1.371542 0.103641
H 3.876870 3.494770 -1.699973
H -1.815447 -0.960167 -1.564065
H -0.304958 -1.695808 -1.556919
H 0.107159 2.176814 0.448461


%chk=000218161-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218161

0 1
S -1.872530 0.681921 1.680979
S -3.329566 1.578172 -0.136185
O 5.210513 2.976796 -0.973192
O -2.054060 2.725555 -0.854733
O -3.534984 0.323635 -1.163185
O -4.634266 2.471289 0.206207
N -0.248804 -2.467783 1.105269
N -1.316993 -1.526686 -0.874899
C 2.281588 -1.095015 -0.131014
C 3.631239 -0.391026 0.135291
C 2.181519 -2.469458 0.566476
C 3.745586 0.980382 -0.570197
C 0.813045 -3.173929 0.364184
C 5.074203 1.693691 -0.262547
C -1.180980 -1.773205 0.480461
C -2.243269 -1.137047 1.348916
H 1.457328 -0.440680 0.216191
H 2.150081 -1.223510 -1.227042
H 4.462775 -1.046836 -0.197334
H 3.757996 -0.258101 1.230145
H 2.345675 -2.347108 1.654596
H 2.978476 -3.141578 0.188490
H 3.658159 0.852626 -1.666990
H 2.897918 1.625496 -0.254562
H 0.882068 -4.192073 0.793434
H 0.621906 -3.297893 -0.729105
H 5.929496 1.095232 -0.620588
H 5.186261 1.837294 0.834872
H -2.249044 -1.621766 2.339929
H -3.249536 -1.206801 0.897562
H 4.457430 3.565045 -0.711340
H -2.085766 -0.926136 -1.208381
H -0.607978 -1.836152 -1.537173
H -2.555686 3.478849 -1.289432


