%chk=000225345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225345

0 1
P 0.877830 -0.517632 -1.091558
O -0.061710 -0.992208 0.165293
O -0.041770 0.521227 -1.958067
O 1.910764 0.582071 -0.369291
O 1.539606 -1.603642 -1.813641
N 3.079480 -0.573539 2.534873
C -1.594464 0.968990 -0.049063
C -2.734430 0.143508 -0.683725
C -2.121456 2.145553 0.809999
C -0.726578 0.078513 0.878152
C -0.698852 1.551031 -1.172250
C -3.725030 -0.441345 0.330129
C -2.980383 3.144726 0.042407
C -4.797817 -1.289060 -0.369213
C -5.797282 -1.867165 0.629671
C 3.216109 0.075028 -0.008645
C 4.157181 1.232610 -0.236914
C 3.146272 -0.294198 1.417912
C 5.475633 1.130999 -0.106838
H -2.293276 -0.681640 -1.282492
H -3.279596 0.773957 -1.413785
H -2.712610 1.735541 1.655703
H -1.268045 2.679106 1.276053
H 0.033917 0.655905 1.439756
H -1.350960 -0.492362 1.598333
H 0.069316 2.249072 -0.785828
H -1.296123 2.068429 -1.950377
H -3.185596 -1.066007 1.070576
H -4.208867 0.370000 0.907079
H -3.392668 3.904127 0.719233
H -3.831711 2.656536 -0.449581
H -2.413373 3.676881 -0.728990
H -5.332398 -0.678229 -1.122513
H -4.316726 -2.112563 -0.934247
H -6.557543 -2.472176 0.122126
H -5.305021 -2.514068 1.365246
H -6.321036 -1.079723 1.182805
H 3.499978 -0.819332 -0.637512
H 3.648741 2.155704 -0.530794
H 6.148970 1.961385 -0.281584
H 5.991722 0.224988 0.184262


%chk=000225345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225345

0 1
P 1.106944 -0.540184 -0.193380
O -0.153612 -0.935639 0.912560
O 0.354331 0.578905 -1.270233
O 2.137440 0.466656 0.810868
O 1.836917 -1.758265 -0.880489
N 4.700164 1.071544 2.946461
C -1.634079 1.031390 0.258427
C -2.568917 0.132421 -0.606048
C -2.387317 2.215990 0.948484
C -0.970012 0.223482 1.407215
C -0.513363 1.629742 -0.637089
C -3.768744 -0.506838 0.128517
C -3.168679 3.159107 0.006978
C -4.648139 -1.350358 -0.824429
C -5.850914 -2.003259 -0.110737
C 3.621107 0.252374 0.649545
C 4.154407 1.030478 -0.536403
C 4.205917 0.701836 1.926458
C 4.542901 0.419046 -1.682050
H -1.959868 -0.672278 -1.060084
H -2.949575 0.738438 -1.453385
H -3.089006 1.795254 1.694971
H -1.651564 2.813929 1.525605
H -0.314824 0.873067 2.020394
H -1.717549 -0.256854 2.057059
H 0.136955 2.315174 -0.057656
H -0.924696 2.158060 -1.511218
H -3.411912 -1.162205 0.948332
H -4.400176 0.275641 0.597169
H -3.657141 3.957807 0.593593
H -3.959930 2.623207 -0.546067
H -2.511115 3.650976 -0.731946
H -5.012048 -0.705771 -1.650826
H -4.022984 -2.135736 -1.294727
H -6.466618 -2.591519 -0.815384
H -5.514123 -2.685655 0.692222
H -6.504024 -1.238325 0.350560
H 3.809085 -0.830332 0.508874
H 4.180510 2.121934 -0.429694
H 4.898997 0.997833 -2.540761
H 4.495449 -0.670074 -1.798987


