%chk=000116733.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116733

0 1
P -3.933037 -2.099116 -1.002232
O -3.832031 -3.667764 -0.397384
O -5.338315 -1.603139 -0.943715
O -0.436391 0.568162 -0.701834
O 3.278300 1.944774 1.378245
O 3.145127 -1.575563 -1.778399
O 5.228304 -1.471161 -0.966666
N 0.065430 2.272843 0.709326
N -2.618372 2.389771 1.447276
N 2.391204 0.334266 0.021968
C -3.101210 0.254012 0.166751
C -2.095207 1.065485 1.016992
C -2.684849 -1.204944 0.066703
C -0.778408 1.276468 0.241433
C 1.339538 2.574991 0.015709
C -3.144154 -2.254623 -2.673307
C 2.431964 1.617351 0.567529
C 1.757496 4.019580 0.255632
C 3.354489 -0.696805 0.447937
C 2.682199 -1.840903 1.203190
C 4.053399 -1.265246 -0.794096
H -4.114708 0.345167 0.619563
H -3.175467 0.720827 -0.840434
H -1.832088 0.478798 1.941865
H -2.632445 -1.693028 1.059471
H -1.662557 -1.291974 -0.368184
H 1.210064 2.389279 -1.089651
H -0.207774 2.883502 1.482677
H -2.403599 -3.066258 -2.689908
H -2.631101 -1.329671 -2.968143
H -3.895279 -2.476578 -3.444232
H -3.339865 2.277608 2.155784
H -3.038225 2.890781 0.667111
H 2.655019 4.269115 -0.329030
H 0.970818 4.729070 -0.025819
H 2.026838 4.200170 1.308713
H 4.149866 -0.214063 1.097433
H 1.612950 0.025415 -0.581429
H -4.704476 -4.073268 -0.161572
H 1.916545 -2.344743 0.597393
H 3.411484 -2.600045 1.515839
H 2.190018 -1.471012 2.113273
H 3.577305 -1.936830 -2.598579


%chk=000116733-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116733

0 1
P -4.256617 -2.054661 -1.235607
O -3.911634 -3.781192 -1.241396
O -5.683640 -1.680387 -0.596672
O -0.182562 0.108925 -0.716760
O 3.434934 2.246891 1.187655
O 2.995145 -1.763179 -1.433389
O 4.897377 -2.467288 -0.302551
N 0.091371 2.050576 0.542311
N -2.261600 1.919068 1.732814
N 2.614029 0.388490 0.044686
C -3.022289 0.095220 0.118877
C -1.884205 0.677368 1.008909
C -2.784816 -1.372307 -0.297464
C -0.586204 0.917677 0.192616
C 1.334945 2.487166 -0.126547
C -4.053265 -1.647452 -3.043426
C 2.562525 1.707000 0.437872
C 1.526765 4.000822 0.030827
C 3.695619 -0.483095 0.519203
C 3.440993 -1.022864 1.956291
C 3.956662 -1.654490 -0.421593
H -3.970006 0.159372 0.687483
H -3.134902 0.736600 -0.778522
H -1.626682 -0.081156 1.775870
H -2.661344 -2.020333 0.589794
H -1.879694 -1.463126 -0.919436
H 1.230170 2.212751 -1.194832
H -0.347374 2.591365 1.305511
H -3.125438 -2.105671 -3.419667
H -4.017143 -0.554525 -3.179607
H -4.916605 -2.055970 -3.591263
H -2.695158 1.747616 2.645288
H -2.836196 2.556423 1.167426
H 2.420314 4.328564 -0.524978
H 0.647670 4.545004 -0.357201
H 1.691828 4.265161 1.089378
H 4.622185 0.122184 0.556822
H 1.841508 0.000556 -0.521808
H -4.655882 -4.312253 -0.859061
H 2.511830 -1.618366 1.991409
H 4.285192 -1.653748 2.281714
H 3.347314 -0.164476 2.641246
H 3.193680 -2.557560 -1.999023


