%chk=000274226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274226

0 1
P -0.781674 0.135843 1.683573
O -0.907757 -1.011713 0.504325
O -2.240322 0.920009 1.609522
O -0.470469 -0.397207 3.005175
O -3.723256 -1.953401 -0.867440
O -4.851582 -0.378920 0.098168
O 3.497604 -1.574308 -0.874292
N -3.865449 -0.820854 -0.455058
N 0.265807 1.385792 1.021773
C -2.709908 0.180613 -0.738465
C -1.362611 -0.573358 -0.783290
C -2.721254 1.308991 0.317853
C -3.011567 0.769236 -2.118138
C 1.580350 1.124282 0.546560
C 1.962203 -0.140907 0.081858
C 2.488186 2.211901 0.485467
C 3.259251 -0.291906 -0.444406
C 3.761574 2.018146 -0.041805
C 4.171533 0.769295 -0.519220
C 4.814792 -1.887774 -1.390976
H -1.460175 -1.545558 -1.326800
H -0.574956 0.037716 -1.272172
H -2.148606 2.187775 -0.040172
H -3.767427 1.624543 0.556715
H -3.052439 -0.006773 -2.898534
H -3.976571 1.298052 -2.141982
H -2.242990 1.490664 -2.429089
H 0.142107 2.347433 1.396861
H 1.322399 -1.023694 0.121755
H 2.199580 3.190335 0.853890
H 4.457779 2.858220 -0.083452
H 5.166829 0.640270 -0.923715
H 4.714247 -2.956679 -1.622570
H 5.573677 -1.724726 -0.620110
H 5.016297 -1.306036 -2.294511


%chk=000274226-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274226

0 1
P -0.752161 0.024747 1.602539
O -0.997544 -1.067642 0.268434
O -2.225103 0.961496 1.611938
O -0.452085 -0.735793 2.947286
O -3.913918 -1.942194 -0.858648
O -4.937714 -0.355838 0.413205
O 3.802658 -1.680740 -0.719343
N -3.988734 -0.771051 -0.342099
N 0.340492 1.247207 0.993114
C -2.878608 0.266971 -0.758493
C -1.544828 -0.481297 -0.974378
C -2.785331 1.382295 0.306192
C -3.369105 0.866164 -2.099454
C 1.667644 1.050610 0.503512
C 2.132490 -0.227352 0.123346
C 2.516741 2.186150 0.382339
C 3.449474 -0.368784 -0.377378
C 3.819298 2.021535 -0.124249
C 4.306843 0.752179 -0.509525
C 5.166593 -1.915752 -1.199827
H -1.688527 -1.345366 -1.639262
H -0.815088 0.227451 -1.412912
H -2.165439 2.195447 -0.121404
H -3.787689 1.759344 0.558013
H -3.504105 0.070220 -2.851240
H -4.331133 1.390119 -1.965609
H -2.628407 1.588306 -2.484954
H 0.118237 2.197961 1.302635
H 1.508514 -1.122855 0.205867
H 2.162912 3.177400 0.688915
H 4.473243 2.895956 -0.215012
H 5.325002 0.651683 -0.893930
H 5.221856 -2.998803 -1.381984
H 5.916027 -1.626321 -0.438056
H 5.362694 -1.368150 -2.142279


