%chk=000194098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194098

0 1
P -2.354131 1.910346 -1.125120
O 1.552507 1.266652 1.352344
O 0.780307 4.269246 0.013874
O -0.878135 1.262961 -1.374862
O 5.212841 0.784831 2.153522
O -3.072086 0.991453 0.051901
O -1.971973 3.153188 -0.100179
O -3.095479 2.209031 -2.343737
O 5.774550 -2.611714 -0.854170
N 3.643341 0.607936 0.461059
N 5.490934 -0.932144 0.638478
C 1.219173 2.958897 -0.352098
C 0.528296 1.893455 0.540118
C 2.706149 2.907762 0.022127
C 2.865202 1.757929 1.022872
C -0.137820 0.752268 -0.241857
C 3.186215 -0.103907 -0.663226
C 4.817822 0.187561 1.170986
C 3.847852 -1.179533 -1.159394
C 5.079752 -1.676021 -0.525162
C 3.367135 -1.925486 -2.356024
C -3.702471 -0.203258 -0.301409
C -3.515982 -1.245694 0.669980
C -4.146129 -2.491984 0.416866
C -4.475308 -0.356798 -1.426397
C -2.744479 -1.068197 1.858024
C -4.937591 -2.655377 -0.765834
C -5.097632 -1.618890 -1.650454
C -3.970402 -3.554238 1.359360
C -2.594939 -2.105409 2.744857
C -3.213289 -3.364051 2.489020
H 1.024366 2.804879 -1.435202
H -0.162002 2.368714 1.276933
H 3.358298 2.810927 -0.863526
H 2.996669 3.877836 0.489744
H 3.318873 2.044899 2.008819
H -0.768068 0.111937 0.406169
H 0.622282 0.109218 -0.745420
H -0.184331 4.376569 -0.180045
H 2.248885 0.263105 -1.113045
H 6.343043 -1.239115 1.132439
H 4.137710 -2.622298 -2.732388
H 3.108876 -1.256931 -3.187894
H 2.482439 -2.535453 -2.121620
H -2.704413 3.550944 0.437871
H -4.635527 0.443194 -2.156096
H -2.295840 -0.091057 2.044190
H -5.412297 -3.619344 -0.944573
H -5.706391 -1.737019 -2.548382
H -4.450502 -4.511975 1.162019
H -2.008171 -1.983819 3.654690
H -3.075227 -4.170123 3.210054


%chk=000194098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194098

0 1
P -2.382155 1.700010 -1.655873
O 1.348962 0.580788 1.241624
O 0.563341 3.836943 -0.060763
O -0.806782 1.059739 -1.806188
O 4.505086 -0.452334 2.640821
O -3.105907 0.983641 -0.246519
O -1.987402 3.231191 -0.951106
O -3.219403 1.747478 -2.993100
O 6.220636 -2.361917 -1.260487
N 3.680431 0.329651 0.565402
N 5.326569 -1.366887 0.652251
C 1.248885 2.565427 -0.212144
C 0.441699 1.360467 0.362149
C 2.529692 2.605827 0.656972
C 2.699193 1.198971 1.261796
C -0.082379 0.369635 -0.692089
C 3.726940 0.244737 -0.831052
C 4.503122 -0.497627 1.381578
C 4.544174 -0.614378 -1.525105
C 5.423986 -1.516010 -0.761696
C 4.593097 -0.686137 -3.030813
C -3.890256 -0.223047 -0.271493
C -3.723644 -1.076781 0.870606
C -4.525845 -2.283590 0.921676
C -4.782430 -0.507620 -1.304097
C -2.812992 -0.787945 1.938883
C -5.437216 -2.573723 -0.147237
C -5.559797 -1.705653 -1.232658
C -4.375927 -3.158885 2.048008
C -2.690285 -1.666573 3.017794
C -3.476513 -2.860890 3.073605
H 1.477845 2.383684 -1.284727
H -0.383024 1.750661 0.989622
H 3.420069 2.943234 0.103499
H 2.335878 3.327387 1.468328
H 3.019512 1.198503 2.314430
H -0.730342 -0.396822 -0.233622
H 0.750950 -0.123925 -1.216652
H -0.344124 3.766256 -0.479899
H 3.068875 0.936031 -1.363877
H 5.932020 -1.972293 1.216350
H 5.609197 -0.458111 -3.400653
H 3.881650 0.018607 -3.494490
H 4.359264 -1.708121 -3.379694
H -2.749913 3.847271 -0.811906
H -4.882102 0.166814 -2.159880
H -2.227855 0.135654 1.905044
H -6.036401 -3.489857 -0.099042
H -6.256307 -1.930891 -2.046591
H -4.982077 -4.071458 2.089111
H -1.988209 -1.441859 3.827553
H -3.368884 -3.539370 3.926551


