%chk=000266753.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266753

0 1
P -0.496143 1.267646 0.434304
O 0.088445 -0.160855 1.042904
O 0.292487 1.479181 -1.001536
O -0.299068 2.371800 1.383291
N -2.119071 0.864182 -0.080657
N 2.386026 -0.754720 -0.955119
C 0.936887 -0.943314 -1.163773
C 0.105909 -1.260955 0.110171
C 0.379286 0.328569 -1.865938
C 0.791031 -2.135631 -2.126465
C -3.086621 0.631204 1.034389
C -4.293688 -0.085290 0.441579
C -3.513133 1.915651 1.755881
C 2.893050 -0.354862 0.164850
C -4.525001 -1.428315 0.772562
C -5.170447 0.572307 -0.433189
C 4.360760 -0.166443 0.273385
C -5.625106 -2.103970 0.236777
C -6.267789 -0.107481 -0.969167
C -6.497815 -1.445871 -0.635309
C 4.857424 0.646824 1.307301
C 5.253611 -0.778143 -0.620400
C 6.233393 0.841213 1.442284
C 6.630132 -0.582861 -0.476847
C 7.121200 0.225154 0.552883
H -0.932477 -1.560172 -0.134919
H 0.573451 -2.067620 0.710448
H 1.083537 0.690836 -2.647629
H -0.610335 0.141698 -2.323187
H -0.248875 -2.313062 -2.415576
H 1.377668 -1.971259 -3.042568
H 1.185277 -3.057968 -1.680655
H -2.594134 -0.051116 1.786677
H -2.530688 1.451588 -0.828627
H -4.287557 1.707954 2.503812
H -2.671586 2.388713 2.288288
H -3.916751 2.671143 1.074050
H 2.335702 -0.125084 1.094210
H -3.849577 -1.949557 1.448748
H -5.003999 1.615737 -0.693028
H -5.802121 -3.145578 0.499955
H -6.946259 0.407981 -1.647101
H -7.353757 -1.972901 -1.051870
H 4.170499 1.134224 1.999637
H 4.865587 -1.399589 -1.429785
H 6.615402 1.475016 2.240908
H 7.319741 -1.059235 -1.171409
H 8.193492 0.377328 0.662363


%chk=000266753-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266753

0 1
P -0.473236 1.491519 0.407491
O 0.036326 -0.010020 1.132473
O 0.275159 1.483589 -1.161206
O -0.075649 2.720065 1.319908
N -2.129588 1.171387 -0.003049
N 2.319300 -0.793447 -0.971122
C 0.853091 -1.002708 -1.085464
C 0.053858 -1.201020 0.236519
C 0.271084 0.189822 -1.899340
C 0.658240 -2.282870 -1.940186
C -3.157262 0.901674 1.052359
C -4.249683 0.020703 0.438966
C -3.678712 2.203193 1.706603
C 2.884293 -0.455210 0.158586
C -4.230666 -1.380964 0.651179
C -5.274249 0.570639 -0.373993
C 4.345145 -0.246371 0.260827
C -5.207721 -2.217069 0.066043
C -6.248796 -0.262763 -0.967597
C -6.219128 -1.659739 -0.750094
C 4.896516 0.161792 1.504904
C 5.209021 -0.438483 -0.852683
C 6.286046 0.374144 1.637519
C 6.594972 -0.228258 -0.718583
C 7.138550 0.178264 0.526538
H -0.990181 -1.483058 -0.003783
H 0.518108 -1.988952 0.855045
H 0.906835 0.386994 -2.776641
H -0.764517 -0.047602 -2.213407
H -0.408149 -2.466662 -2.166295
H 1.216042 -2.181252 -2.886204
H 1.064001 -3.161375 -1.408065
H -2.635103 0.310559 1.829615
H -2.477975 1.621883 -0.856241
H -4.415685 1.974119 2.497099
H -2.836106 2.759599 2.153577
H -4.164285 2.864681 0.966399
H 2.315498 -0.295760 1.094967
H -3.450198 -1.817592 1.287487
H -5.324640 1.653640 -0.539024
H -5.183380 -3.297253 0.248788
H -7.034124 0.176666 -1.592918
H -6.978863 -2.304736 -1.205290
H 4.231201 0.320956 2.362837
H 4.766045 -0.748036 -1.804848
H 6.702032 0.693393 2.599394
H 7.257151 -0.377060 -1.579032
H 8.217382 0.343077 0.626842


