%chk=000289342.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289342

0 1
S 0.287788 1.525399 -0.014978
O -0.365299 -1.720010 -0.364998
O -1.236813 -0.999636 1.593199
N 4.038447 0.110610 -0.516233
C -1.145186 0.464235 -0.402393
C 2.885289 0.829940 0.125585
C 1.677047 0.640297 -0.793204
C -2.350075 1.291037 -0.070545
C -0.968455 -0.774107 0.439925
C -2.761772 1.484459 1.256843
C -3.061999 1.901852 -1.116862
C -0.044531 -3.022257 0.227862
C 5.310006 0.874121 -0.348072
C 4.184084 -1.267677 0.035987
C 1.224848 -3.462329 -0.493765
C -3.876964 2.279776 1.532655
C -4.175021 2.696377 -0.832936
C -4.584682 2.886988 0.491013
C 1.666070 -4.843116 -0.026196
H -1.136090 0.182016 -1.489024
H 2.663770 0.464765 1.152769
H 3.117123 1.913386 0.229168
H 1.873885 1.053899 -1.800672
H 1.439199 -0.434002 -0.937031
H -2.216346 1.003708 2.075516
H -2.746961 1.764640 -2.149877
H 0.084654 -2.909521 1.319239
H -0.914318 -3.666257 0.016835
H 5.205461 1.855536 -0.838856
H 5.622270 1.035082 0.693827
H 6.119601 0.339946 -0.871682
H 4.962580 -1.799197 -0.534166
H 4.442610 -1.316605 1.103637
H 3.233924 -1.823529 -0.115241
H 1.053411 -3.456769 -1.589738
H 2.037267 -2.713192 -0.320898
H -4.193159 2.425468 2.564709
H -4.723832 3.169331 -1.645630
H -5.452176 3.506866 0.709171
H 1.878003 -4.862883 1.049696
H 2.579575 -5.160361 -0.544305
H 0.901768 -5.604585 -0.224836


%chk=000289342-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289342

0 1
S 0.368591 2.139187 -0.256049
O 0.033857 -1.454638 -0.265604
O -0.630572 -0.501506 1.754664
N 4.146448 0.305301 -0.357972
C -0.940011 0.719716 -0.401477
C 2.865496 0.821829 0.179467
C 1.922196 1.290933 -0.944190
C -2.304217 1.316287 -0.111676
C -0.525541 -0.428613 0.510190
C -2.721070 1.640858 1.205841
C -3.174439 1.587759 -1.198877
C 0.505377 -2.658434 0.485969
C 5.230439 0.322325 0.645884
C 4.021314 -1.012726 -1.009284
C 0.943091 -3.696998 -0.546954
C -3.990381 2.220098 1.423895
C -4.443493 2.166277 -0.978033
C -4.855299 2.484937 0.336594
C 1.470460 -4.977945 0.137657
H -0.883501 0.372654 -1.444911
H 2.339545 0.070818 0.822652
H 3.092254 1.687992 0.828000
H 2.427270 2.038693 -1.577412
H 1.579691 0.458441 -1.580939
H -2.056237 1.426719 2.047359
H -2.854079 1.348476 -2.220322
H 1.337355 -2.350283 1.148022
H -0.323396 -3.020358 1.121953
H 5.354269 1.344331 1.045085
H 5.048833 -0.367438 1.509169
H 6.181985 0.025258 0.168944
H 4.990660 -1.298513 -1.455181
H 3.715795 -1.824109 -0.296660
H 3.275201 -0.973899 -1.820995
H 0.086044 -3.939970 -1.202300
H 1.729107 -3.260664 -1.191391
H -4.304480 2.466206 2.444445
H -5.106027 2.368296 -1.827002
H -5.838861 2.935554 0.511204
H 2.348996 -4.762214 0.774110
H 1.776198 -5.725460 -0.615267
H 0.696136 -5.441473 0.776887


