%chk=000242552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242552

0 1
P -1.499260 -1.302163 -0.839073
O -0.377013 -2.142336 -1.704915
O -1.064033 -1.663653 0.704960
O -2.917802 -1.618214 -1.144453
O 5.367914 1.099309 1.119951
N 3.994663 -0.070671 -0.321214
C -0.923658 0.435199 -1.217744
C 0.405021 0.715149 -0.569359
C -1.859998 1.406682 -0.549782
C 0.266470 1.773260 0.384811
C -1.135641 2.201235 0.397819
C 1.627075 0.112848 -0.800627
C -3.217966 1.600186 -0.744787
C 1.371210 2.215841 1.098549
C -1.784848 3.179576 1.136777
C 2.745474 0.576646 -0.059287
C -0.576962 -3.596031 -1.778462
C -2.149751 -1.766609 1.694367
C 2.618008 1.615444 0.875095
C -3.866465 2.593775 0.011941
C -3.163406 3.369063 0.933825
C -0.069836 -3.939884 -3.173028
C 0.246033 -4.224606 -0.662023
C -1.627379 -2.837970 2.643458
C -2.298652 -0.400797 2.347532
C 5.237102 0.227647 0.286027
C 6.367597 -0.635877 -0.203716
H -0.885497 0.577010 -2.326058
H 1.715066 -0.704239 -1.515803
H -3.783049 0.992751 -1.454139
H 1.279961 3.021243 1.825894
H -1.243802 3.789747 1.855139
H -1.662166 -3.840035 -1.679293
H -3.093585 -2.092914 1.193153
H 3.492291 1.962808 1.436840
H -4.934056 2.755058 -0.130732
H -3.684889 4.134770 1.506165
H -0.039535 -5.021866 -3.336115
H -0.711354 -3.495197 -3.945037
H 0.940169 -3.541901 -3.335205
H 0.180796 -5.316620 -0.678308
H -0.084185 -3.878293 0.330152
H 1.304074 -3.945614 -0.741790
H -1.571662 -3.815019 2.150042
H -2.264796 -2.939194 3.527809
H -0.611591 -2.592093 2.984883
H -2.760612 -0.469987 3.337687
H -1.317636 0.082362 2.475366
H -2.913898 0.285228 1.749362
H 3.960431 -0.822857 -1.012842
H 6.206969 -1.701127 0.007029
H 7.302154 -0.347490 0.308112
H 6.549006 -0.522976 -1.280553


%chk=000242552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242552

0 1
P -1.526459 -1.310826 -0.774549
O -0.306349 -2.182345 -1.646810
O -1.182961 -1.721960 0.879710
O -3.035172 -1.621206 -1.202579
O 5.598525 1.291034 0.954951
N 4.072775 0.016437 -0.299081
C -0.909563 0.449181 -1.103810
C 0.450744 0.786625 -0.510807
C -1.832876 1.501090 -0.498324
C 0.331622 1.934005 0.331025
C -1.074757 2.371337 0.343017
C 1.685963 0.161612 -0.711522
C -3.215418 1.679439 -0.677395
C 1.479130 2.452754 0.966475
C -1.710204 3.444640 1.005034
C 2.839550 0.690280 -0.065163
C -0.446145 -3.674368 -1.800126
C -2.326468 -1.933442 1.842376
C 2.733865 1.836972 0.772842
C -3.848380 2.758051 -0.008443
C -3.101109 3.630525 0.822278
C -0.069986 -3.980393 -3.253259
C 0.458652 -4.358238 -0.765745
C -1.893855 -3.101175 2.735262
C -2.571819 -0.629684 2.612822
C 5.348872 0.315445 0.188469
C 6.430229 -0.653081 -0.295071
H -0.902971 0.488020 -2.210474
H 1.749625 -0.733258 -1.342129
H -3.790520 0.990437 -1.304515
H 1.411224 3.335659 1.611588
H -1.141565 4.123967 1.649687
H -1.508944 -3.936092 -1.622423
H -3.219177 -2.203755 1.244594
H 3.633514 2.222655 1.254940
H -4.925231 2.916331 -0.132448
H -3.608651 4.458529 1.329996
H -0.114242 -5.069834 -3.436892
H -0.760104 -3.476313 -3.950269
H 0.957570 -3.633353 -3.462768
H 0.344696 -5.456930 -0.825474
H 0.201273 -4.025834 0.253909
H 1.517866 -4.108480 -0.957081
H -1.732961 -4.015832 2.138774
H -2.674881 -3.308409 3.489941
H -0.955303 -2.854097 3.261897
H -3.376983 -0.775695 3.357054
H -1.654587 -0.318555 3.143199
H -2.876706 0.184420 1.932947
H 4.007979 -0.801777 -0.909896
H 6.217124 -1.688705 0.029431
H 7.394242 -0.341350 0.131286
H 6.511811 -0.647859 -1.398050


