%chk=000193604.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193604

0 1
P 4.697746 -0.299962 -1.588665
O 0.856365 -0.149934 0.893357
O -0.429427 -3.273550 1.140488
O 2.101278 -3.147349 0.908546
O 3.158626 -0.689929 -1.943781
O -0.806128 -0.545753 -2.154946
O 4.826559 -0.766577 -0.005745
O 4.575308 1.332004 -1.395496
O 5.754375 -0.796610 -2.470779
N -1.369777 -0.127450 0.112774
N -2.556717 0.918729 -1.572751
N -2.527203 0.946245 2.047917
N -4.281453 2.517449 1.408415
N -4.777047 3.076236 -0.845286
C -0.044809 -2.282822 0.198208
C -0.364949 -0.911807 0.859147
C 1.493421 -2.272137 -0.038605
C 1.920779 -0.803853 0.155192
C 2.106425 -0.055989 -1.172573
C -2.301236 0.743711 0.723892
C -1.470653 0.032867 -1.324278
C -3.029529 1.410808 -0.322853
C -4.046172 2.311767 0.059895
C -3.522052 1.849631 2.318285
H -0.623301 -2.474041 -0.734069
H -0.692465 -0.995878 1.931067
H 1.800589 -2.700268 -1.020313
H 2.808695 -0.698561 0.828586
H 2.292249 1.024287 -1.014008
H 1.231924 -0.181536 -1.856276
H 0.315492 -3.927134 1.280909
H 2.109093 -2.741197 1.809867
H -2.651111 1.440504 -2.432798
H -3.735741 2.045206 3.384442
H -4.947969 2.690991 -1.761503
H -5.547480 3.621251 -0.468605
H 5.556035 -1.394279 0.226751
H 5.366457 1.883432 -1.617508


%chk=000193604-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193604

0 1
P 5.044827 -0.624721 -1.692877
O 0.941465 0.119613 0.687211
O -0.698878 -3.148490 0.627928
O 1.822162 -2.733224 1.519240
O 3.405707 -1.003785 -1.976235
O -0.751769 -0.063323 -2.317361
O 5.346640 -0.882741 0.003046
O 4.956247 1.087291 -1.668466
O 6.056457 -1.359785 -2.657213
N -1.384801 0.091928 0.007886
N -2.645521 1.163360 -1.521051
N -2.626569 0.748095 2.035555
N -4.572705 2.159777 1.582628
N -5.222608 2.850830 -0.564827
C 0.004427 -2.045102 0.006813
C -0.327154 -0.664599 0.663617
C 1.547079 -2.149262 0.184972
C 2.036780 -0.700452 0.078144
C 2.292663 -0.216327 -1.362101
C -2.417309 0.753203 0.697084
C -1.500259 0.344971 -1.390339
C -3.219098 1.423015 -0.260540
C -4.337234 2.146670 0.223622
C -3.726855 1.477405 2.401013
H -0.269701 -2.044975 -1.058922
H -0.665740 -0.793025 1.707396
H 2.022407 -2.827320 -0.537458
H 2.939857 -0.532577 0.691809
H 2.543484 0.857424 -1.360318
H 1.430998 -0.396399 -2.023828
H -0.116808 -3.462702 1.376905
H 1.830521 -2.008453 2.197613
H -2.950639 1.486057 -2.436324
H -3.952719 1.515662 3.469966
H -5.145285 2.904367 -1.575741
H -5.987087 3.329515 -0.091986
H 5.784822 -1.748550 0.207626
H 5.758392 1.555132 -1.327587


