%chk=000196156.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196156

0 1
P 0.033007 -2.467359 -1.957186
O -1.024321 -0.082864 0.434390
O -2.501823 -1.616375 3.032174
O -0.970958 -2.990655 -0.771031
O -4.387400 2.415648 0.619750
O 1.502556 -2.861123 -1.274856
O 0.023580 -3.746468 -2.968234
O -0.198372 -1.147316 -2.541623
O -4.523733 2.411985 -3.934256
O 2.195609 1.171714 1.192343
O 2.383967 3.032470 2.339647
N -2.588471 1.426208 -0.474455
N -4.429101 2.410370 -1.673543
C -2.802011 -0.947393 1.803051
C -1.630108 -1.332562 0.863666
C -2.723341 0.581696 1.941647
C -1.839345 1.048121 0.783480
C -2.061377 -2.121095 -0.376953
C -1.967181 1.149925 -1.715557
C -3.838926 2.110489 -0.427375
C -2.554050 1.443603 -2.901968
C -3.863609 2.102464 -2.967478
C -1.893087 1.123285 -4.198125
C 2.201535 -2.028432 -0.439858
C 3.857701 -0.593281 1.314994
C 1.799362 -0.758527 -0.060044
C 2.639842 -0.056087 0.829436
C 3.413737 -2.611889 0.019820
C 4.219040 -1.893403 0.879188
C 4.651715 0.216787 2.220278
C 4.198805 1.447624 2.586225
C 5.947006 -0.308407 2.735099
C 2.955840 2.002204 2.121304
H -3.795239 -1.292107 1.449161
H -0.814366 -1.856971 1.422134
H -3.723527 1.067952 1.964675
H -2.249185 0.860214 2.906405
H -1.106870 1.856977 1.023831
H -2.393022 -1.458115 -1.201344
H -2.860624 -2.856927 -0.140892
H -3.145338 -1.371915 3.729337
H -0.972638 0.662231 -1.663649
H -5.333073 2.905548 -1.647045
H -2.626614 0.833518 -4.965681
H -1.170784 0.293450 -4.096369
H -1.344259 1.992429 -4.589754
H 0.356436 -4.616561 -2.603237
H 0.884335 -0.258222 -0.400198
H 3.676613 -3.611760 -0.319958
H 5.153517 -2.333744 1.234580
H 4.760116 2.094345 3.264236
H 6.649325 -0.526555 1.915138
H 5.807658 -1.238906 3.307453
H 6.458550 0.398959 3.405926


%chk=000196156-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196156

0 1
P 0.041638 -3.005217 -1.688365
O -1.301697 -0.498001 0.555797
O -4.068688 -1.885852 2.440029
O -0.820725 -3.325292 -0.231928
O -3.201839 3.247646 0.905766
O 1.690885 -3.119307 -1.152041
O 0.058897 -4.462939 -2.567080
O -0.476714 -1.765719 -2.522426
O -3.452841 3.556064 -3.756365
O 1.913050 0.826676 1.673243
O 1.947455 2.679623 3.044222
N -2.392450 1.446063 -0.377450
N -3.317332 3.338231 -1.435502
C -3.496259 -1.045556 1.390359
C -2.120231 -1.646840 1.032644
C -3.128305 0.392271 1.828065
C -1.952130 0.769823 0.901914
C -2.174541 -2.722786 -0.042248
C -2.089144 0.921285 -1.640460
C -2.984968 2.719349 -0.225094
C -2.410651 1.557706 -2.819080
C -3.088984 2.859233 -2.763966
C -2.073837 0.976087 -4.170529
C 2.396903 -2.164720 -0.375459
C 3.992542 -0.396834 1.156535
C 1.771069 -1.091658 0.276992
C 2.581145 -0.221825 1.035320
C 3.795808 -2.383581 -0.290218
C 4.575281 -1.502520 0.471865
C 4.747325 0.556170 1.966933
C 4.072496 1.586724 2.595018
C 6.245135 0.408695 2.114026
C 2.631797 1.790794 2.503504
H -4.161464 -1.020948 0.499971
H -1.659108 -2.049336 1.954241
H -3.952908 1.116384 1.765674
H -2.762598 0.362360 2.870266
H -1.211397 1.425049 1.389095
H -2.547413 -2.311381 -0.998531
H -2.816254 -3.552909 0.297928
H -4.966977 -1.549564 2.683577
H -1.550439 -0.029152 -1.641755
H -3.757856 4.260257 -1.353133
H -2.990971 0.801017 -4.762829
H -1.525077 0.025378 -4.065434
H -1.458633 1.684179 -4.755021
H 0.780567 -5.092906 -2.308979
H 0.691699 -0.901580 0.243850
H 4.238802 -3.229809 -0.821183
H 5.654691 -1.669561 0.537217
H 4.603433 2.317978 3.210551
H 6.749371 0.455442 1.130510
H 6.507266 -0.565110 2.568859
H 6.662278 1.205612 2.749803


