%chk=000296388.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296388

0 1
P 0.365120 -0.523144 -1.601327
O 0.180283 -2.118633 -1.990288
O 1.926908 -0.614394 -1.046017
O 0.127503 0.353941 -2.771149
N -1.941999 -0.182173 -0.645701
C -0.597483 -0.081200 -0.043122
C -0.162519 1.266399 0.452475
C -3.046145 -0.513983 0.206661
C -0.421100 2.440827 -0.271665
C 0.522086 1.345806 1.676726
C -0.569370 -3.026132 -1.164463
C 2.939209 -0.010307 -1.893893
C -0.012752 3.678368 0.233709
C 0.930559 2.585277 2.174291
C 0.071223 -3.309292 0.168889
C 3.006726 1.476929 -1.667168
C -4.347432 -0.309484 -0.306191
C -2.878128 -1.126956 1.461742
C 0.659529 3.754855 1.456937
C -5.451681 -0.733363 0.429586
C -3.998595 -1.541665 2.184295
C 1.459171 -3.230423 0.340751
C 2.338503 2.354509 -2.533332
C -0.743324 -3.700297 1.243062
C 3.749602 1.987199 -0.593072
C -5.285553 -1.351315 1.675292
C 2.027623 -3.527932 1.582828
C 2.437996 3.734924 -2.340195
C -0.170037 -4.004128 2.479942
C 3.843525 3.368564 -0.401668
C 1.215755 -3.916154 2.652656
C 3.193564 4.243247 -1.278525
H -0.451294 -0.861570 0.755579
H -2.158116 0.625011 -1.258672
H -0.919791 2.401900 -1.241959
H 0.742504 0.440001 2.239466
H -0.554851 -3.941062 -1.802574
H -1.618609 -2.675874 -1.076648
H 2.771878 -0.270503 -2.958156
H 3.853527 -0.531125 -1.539315
H -0.212657 4.585064 -0.335575
H 1.461494 2.639551 3.123106
H -4.489097 0.165739 -1.274099
H -1.880847 -1.270302 1.876118
H 0.976790 4.719894 1.846110
H -6.454764 -0.579662 0.031485
H -3.864092 -2.014157 3.157038
H 2.095886 -2.924530 -0.495401
H 1.720102 1.957240 -3.346623
H -1.823923 -3.769993 1.115162
H 4.247200 1.307207 0.096372
H -6.153200 -1.675754 2.242982
H 3.106583 -3.459098 1.713277
H 1.922542 4.413424 -3.017290
H -0.803279 -4.311789 3.310329
H 4.421046 3.762594 0.431716
H 1.660457 -4.152360 3.617550
H 3.272445 5.318482 -1.132142


%chk=000296388-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296388

0 1
P 0.754004 -0.059077 -0.606528
O 1.409833 -1.645274 -0.289430
O 2.124963 0.937719 -0.332332
O 0.017819 0.028009 -2.031705
N -1.719907 -0.023495 0.345937
C -0.414643 0.364820 0.859966
C -0.268964 1.801227 1.350935
C -2.778525 -0.470337 1.154955
C -1.143316 2.815275 0.894127
C 0.736882 2.122737 2.295856
C 0.965943 -2.805042 -1.142978
C 3.296754 0.830066 -1.271497
C -1.009193 4.137894 1.371047
C 0.870486 3.442892 2.773817
C 0.332957 -3.864629 -0.271618
C 3.352547 2.003031 -2.224979
C -3.959483 -0.971629 0.532652
C -2.704998 -0.451700 2.576517
C -0.002357 4.456045 2.311020
C -5.030640 -1.446315 1.314720
C -3.782044 -0.942102 3.345731
C 1.036286 -5.056765 0.031931
C 2.356870 2.173265 -3.222741
C -0.967516 -3.677687 0.264372
C 4.416052 2.934848 -2.139223
C -4.950933 -1.443450 2.728690
C 0.451368 -6.047912 0.852969
C 2.434717 3.258014 -4.121895
C -1.550649 -4.660384 1.091856
C 4.495912 4.018636 -3.043630
C -0.843028 -5.850561 1.386343
C 3.505159 4.181042 -4.038223
H -0.087956 -0.340347 1.648533
H -1.866867 0.065695 -0.665207
H -1.936587 2.562371 0.182704
H 1.424826 1.342716 2.644623
H 1.883918 -3.179636 -1.627629
H 0.275812 -2.418773 -1.917609
H 3.232497 -0.136362 -1.808102
H 4.173332 0.808940 -0.603768
H -1.691120 4.917381 1.013417
H 1.651041 3.683126 3.504218
H -4.029008 -0.988185 -0.562512
H -1.826734 -0.036288 3.080729
H 0.100008 5.482009 2.681972
H -5.930656 -1.825133 0.816664
H -3.708491 -0.919594 4.439209
H 2.044758 -5.208601 -0.372728
H 1.516421 1.469124 -3.274373
H -1.522110 -2.758400 0.043312
H 5.183067 2.813770 -1.364004
H -5.784450 -1.815043 3.333520
H 1.003599 -6.967205 1.078116
H 1.661269 3.385405 -4.887613
H -2.552567 -4.495945 1.503624
H 5.323708 4.732836 -2.970345
H -1.296639 -6.616011 2.026063
H 3.563274 5.021187 -4.739577


