%chk=000108738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108738

0 1
P 0.006284 -0.100994 0.579796
O -3.098177 -1.742133 0.395056
O -3.251376 0.452034 -0.136498
C -1.250954 -0.820395 -0.693218
C 0.334054 1.616966 -0.080373
C 1.543271 -1.073882 0.124389
C 1.636954 2.120668 -0.105548
C 2.058575 -1.931401 1.096387
C -0.748228 2.419733 -0.448838
C 2.149253 -0.966698 -1.130193
C -2.605614 -0.574237 -0.142094
C 1.859429 3.438526 -0.522063
C 3.198981 -2.694263 0.807338
C -0.517928 3.735752 -0.867006
C 3.286625 -1.730151 -1.413383
C 0.783523 4.245270 -0.905341
C 3.810694 -2.593951 -0.444573
C -4.425609 -1.712368 1.008689
C -5.492080 -1.729892 -0.066668
H -1.042764 -1.903836 -0.822243
H -1.129673 -0.343037 -1.683855
H 2.495444 1.515412 0.191932
H 1.600565 -2.029079 2.083319
H -1.783516 2.054610 -0.417631
H 1.760849 -0.295223 -1.897928
H 2.872154 3.835811 -0.544762
H 3.606990 -3.365267 1.561115
H -1.358135 4.364074 -1.158000
H 3.765240 -1.652503 -2.387802
H 0.958653 5.269542 -1.229106
H 4.696234 -3.187382 -0.667841
H -4.395897 -2.638838 1.610625
H -4.491674 -0.821628 1.658610
H -6.492804 -1.855530 0.362307
H -5.492808 -0.788438 -0.637279
H -5.328834 -2.543971 -0.783919


%chk=000108738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108738

0 1
P 0.035954 -0.050643 0.734390
O -3.145240 -1.669781 0.538035
O -3.344777 0.472391 -0.364900
C -1.225264 -0.777264 -0.566780
C 0.383363 1.649466 -0.020247
C 1.549540 -1.031440 0.149035
C 1.665434 2.235618 0.154631
C 2.060025 -2.022999 1.024453
C -0.645994 2.408637 -0.635122
C 2.157863 -0.847262 -1.118853
C -2.659820 -0.560873 -0.155594
C 1.920737 3.548948 -0.298766
C 3.161105 -2.823212 0.637872
C -0.384281 3.722917 -1.088106
C 3.258410 -1.644813 -1.504820
C 0.896367 4.297992 -0.923989
C 3.761259 -2.635643 -0.627906
C -4.547196 -1.576902 1.054594
C -5.547801 -2.031976 -0.011098
H -1.004946 -1.854499 -0.613405
H -1.033649 -0.304471 -1.543497
H 2.470043 1.665091 0.633407
H 1.597965 -2.164989 2.008600
H -1.652265 1.989423 -0.755609
H 1.782394 -0.072477 -1.797452
H 2.917270 3.984569 -0.162994
H 3.548568 -3.585051 1.323615
H -1.187759 4.296608 -1.564089
H 3.722060 -1.493548 -2.486241
H 1.093913 5.317147 -1.274923
H 4.615582 -3.252866 -0.928304
H -4.542116 -2.243585 1.931673
H -4.737272 -0.534874 1.366287
H -6.567412 -2.044715 0.416980
H -5.544448 -1.341996 -0.871439
H -5.309909 -3.049627 -0.366038


