%chk=000273046.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273046

0 1
P 1.472748 0.379070 0.756089
O -1.672221 2.133442 -0.538215
O 1.277733 0.938312 2.127673
N 0.292264 0.986213 -0.454499
N 0.582879 2.338739 -0.641873
C 3.112399 0.678411 -0.014550
C 1.175363 -1.437447 0.641440
C -1.144379 0.839418 -0.327677
C 3.299218 0.668689 -1.395766
C 0.764363 -2.075328 1.811629
C 4.169273 0.925425 0.862382
C 1.355014 -2.142464 -0.547452
C -0.551510 2.999360 -0.725048
C -1.891119 -0.263347 -0.170023
C 4.583319 0.886312 -1.910367
C 0.529589 -3.456070 1.789923
C 5.451351 1.139693 0.341425
C 1.117307 -3.521696 -0.564111
C -3.349753 -0.332492 -0.170801
C 5.655859 1.116839 -1.042045
C 0.706446 -4.175067 0.603828
C -0.878435 4.407439 -0.959469
C -3.961891 -1.603414 -0.210592
C -4.163687 0.813445 -0.125744
C -5.351744 -1.716603 -0.209551
C -5.555250 0.690597 -0.123381
C -6.154616 -0.570936 -0.166324
H 2.467290 0.514922 -2.087971
H 0.620241 -1.518552 2.746337
H 4.019469 0.966087 1.947004
H 1.672215 -1.646864 -1.467462
H -1.377646 -1.223640 -0.036234
H 4.745244 0.883063 -2.986361
H 0.208770 -3.966959 2.696265
H 6.286023 1.330024 1.013502
H 1.251829 -4.086530 -1.484622
H 6.654103 1.284891 -1.445779
H 0.523395 -5.249600 0.587681
H -1.388301 4.849628 -0.083668
H 0.028806 5.007256 -1.153385
H -1.555649 4.527807 -1.823406
H -3.347299 -2.500139 -0.244039
H -3.711034 1.804955 -0.087668
H -5.814654 -2.701291 -0.242033
H -6.174776 1.585051 -0.086898
H -7.237445 -0.663050 -0.164963


%chk=000273046-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273046

0 1
P 1.131791 -0.747831 0.421591
O -1.815132 1.350433 -1.364762
O 0.498087 -1.188388 1.830447
N -0.069267 0.161436 -0.564940
N 0.343554 0.730559 -1.808436
C 2.562464 0.428211 0.637095
C 1.625651 -2.198992 -0.638738
C -1.409613 0.530889 -0.245015
C 3.368544 0.872738 -0.436582
C 1.753978 -3.436072 0.037019
C 2.815692 0.852830 1.963015
C 1.876060 -2.099479 -2.028189
C -0.698976 1.408817 -2.238669
C -2.184077 0.223135 0.834300
C 4.440773 1.754073 -0.173888
C 2.147101 -4.584088 -0.686317
C 3.889936 1.734652 2.215253
C 2.267850 -3.254203 -2.741552
C -3.565834 0.625768 1.109654
C 4.701970 2.184792 1.148430
C 2.408881 -4.493072 -2.072965
C -0.831508 2.198917 -3.491143
C -4.158101 0.173636 2.329158
C -4.365826 1.435648 0.244802
C -5.482264 0.510776 2.671775
C -5.691153 1.769708 0.592870
C -6.261828 1.313161 1.804760
H 3.168933 0.545674 -1.461167
H 1.530584 -3.490160 1.108534
H 2.176120 0.483522 2.772883
H 1.731755 -1.147647 -2.549073
H -1.681698 -0.404534 1.580208
H 5.071057 2.103154 -0.998857
H 2.243914 -5.545055 -0.169932
H 4.092424 2.066600 3.239136
H 2.457558 -3.187512 -3.818335
H 5.536377 2.866903 1.346320
H 2.713616 -5.384877 -2.631916
H -1.064465 3.254383 -3.263330
H 0.110799 2.153846 -4.057757
H -1.650470 1.805155 -4.119203
H -3.562197 -0.449340 3.007907
H -3.946024 1.798630 -0.696659
H -5.908000 0.148267 3.614809
H -6.285583 2.391803 -0.087338
H -7.292347 1.576735 2.068001


