%chk=000267077.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267077

0 1
P 0.681772 0.320392 -0.640852
O 4.062706 3.038910 0.742212
O 1.828182 -4.066218 -0.347511
O 0.258695 0.705847 -2.013515
O -5.271494 0.988666 0.116879
O -1.662213 -1.447093 -0.047661
N 1.809058 1.461049 0.073042
N 1.368706 -1.274916 -0.512578
N -0.618192 0.492074 0.566318
N -2.867856 -0.014908 1.325993
C 2.421699 2.367963 -0.948237
C 2.838897 0.931868 1.014059
C 0.902132 -2.179027 -1.615503
C 1.271238 -1.976384 0.804897
C 3.083608 3.534921 -0.196183
C 3.496482 2.137261 1.713385
C 1.833815 -3.401422 -1.630344
C 2.208964 -3.197126 0.736464
C -1.729685 -0.366940 0.528925
C -3.264082 1.417804 1.436412
C -4.061453 -0.892213 1.120595
C -4.122687 1.849408 0.234157
C -4.922597 -0.402620 -0.053501
H 1.634214 2.753122 -1.640637
H 3.185616 1.856242 -1.579104
H 3.625157 0.329743 0.500102
H 2.359156 0.269736 1.773373
H 0.946807 -1.649407 -2.596340
H -0.157035 -2.513270 -1.467484
H 0.230630 -2.326798 1.023385
H 1.583802 -1.300774 1.632935
H -0.645835 1.339949 1.156187
H 2.344360 4.148787 0.346279
H 3.696216 4.168078 -0.862115
H 4.379940 1.844428 2.307571
H 2.776052 2.690149 2.340689
H 1.468407 -4.195517 -2.305286
H 2.872015 -3.125714 -1.883579
H 3.263084 -2.897955 0.603558
H 2.100480 -3.855376 1.616280
H -2.375211 2.070875 1.548000
H -3.854176 1.519597 2.378628
H -4.643121 -0.879143 2.069058
H -3.725241 -1.941986 0.948831
H -3.554404 1.833220 -0.713139
H -4.585580 2.841780 0.380415
H -5.914137 -0.888661 -0.081181
H -4.411488 -0.531305 -1.024678


%chk=000267077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267077

0 1
P 0.823534 0.160323 -0.890502
O 3.722213 3.195230 1.065961
O 2.210511 -4.223650 -0.497157
O 0.663715 0.535765 -2.434305
O -5.514130 1.204791 1.112366
O -1.668827 -1.568565 -0.275260
N 1.888005 1.306034 -0.082572
N 1.352866 -1.488061 -0.686128
N -0.581381 0.448632 0.177069
N -2.863200 0.118763 0.808555
C 2.961880 1.908299 -0.918455
C 2.274498 1.191756 1.344702
C 1.089380 -2.432629 -1.808981
C 1.352886 -2.177281 0.628477
C 3.307865 3.291929 -0.348056
C 2.649322 2.593019 1.867485
C 2.179522 -3.514131 -1.792125
C 2.438029 -3.272142 0.599029
C -1.710680 -0.393419 0.211149
C -3.055052 1.461016 1.393597
C -4.029993 -0.779934 0.979472
C -4.366844 2.084094 0.860435
C -5.301918 -0.098250 0.449205
H 2.593791 1.992689 -1.956247
H 3.871909 1.269347 -0.912891
H 3.146775 0.511687 1.469457
H 1.428259 0.792374 1.933715
H 1.105764 -1.869701 -2.758369
H 0.086952 -2.888478 -1.680579
H 0.357148 -2.629937 0.814094
H 1.574427 -1.465771 1.442875
H -0.635204 1.407160 0.528409
H 2.427915 3.964695 -0.435062
H 4.169953 3.734272 -0.873577
H 3.044740 2.538322 2.895761
H 1.749396 3.247368 1.846489
H 1.973396 -4.293929 -2.543958
H 3.171710 -3.053985 -1.989201
H 3.438503 -2.798877 0.487689
H 2.411780 -3.876613 1.521666
H -2.222950 2.140484 1.142501
H -3.111930 1.381800 2.499095
H -4.157471 -1.011620 2.056716
H -3.816257 -1.714452 0.435584
H -4.268760 2.278975 -0.229684
H -4.592739 3.026264 1.386707
H -6.197860 -0.695340 0.683127
H -5.226045 0.048774 -0.649075


