%chk=000194010.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194010

0 1
P 1.461526 2.502054 0.656374
O -2.680517 1.947327 -1.797965
O -4.869052 3.505191 0.085429
O -2.980816 4.962888 -0.655501
O -0.116819 2.576206 0.195320
O 1.712662 0.883184 0.168901
O 2.139083 3.416269 -0.526080
O 1.634745 2.812813 2.069398
O 3.699639 1.722736 0.287679
N -3.125937 0.372423 -0.098532
N -1.797233 -1.083771 1.094890
N -4.768182 -1.298088 -1.009908
N -4.301144 -3.580616 -0.254234
N -2.443324 -4.143744 1.101503
C -3.647050 2.810765 0.233829
C -2.450927 3.719500 -0.177805
C -3.600261 1.604090 -0.751422
C -1.820894 3.056228 -1.418978
C -0.399897 2.506519 -1.229370
C -3.666397 -0.908816 -0.291366
C -1.975372 0.191538 0.747029
C -2.832618 -1.803045 0.468332
C -3.189752 -3.183371 0.459887
C -5.015171 -2.633711 -0.943938
C 3.547042 -0.677340 -0.138878
C 3.081264 0.665772 0.113195
C 4.954123 -0.917757 -0.161035
C 2.654515 -1.764721 -0.351925
C 4.549699 -3.273965 -0.617365
C 5.435234 -2.204475 -0.400521
C 3.168911 -3.045022 -0.590549
C 5.919538 0.190702 0.070455
C 1.182633 -1.576200 -0.326898
C 5.090706 -4.640279 -0.869113
H -3.641751 2.509565 1.303611
H -1.732009 3.903440 0.649086
H -4.572985 1.404734 -1.275953
H -1.875148 3.734059 -2.307259
H -0.358491 1.437988 -1.534156
H 0.334538 3.106144 -1.805384
H -4.864633 4.037659 -0.760726
H -3.259716 5.523910 0.106755
H -1.357475 1.036994 1.041336
H -5.891479 -3.007174 -1.502305
H -2.791139 -5.088943 1.166770
H -1.725409 -3.859706 1.751888
H 3.138229 3.544831 -0.479150
H 6.508215 -2.385936 -0.417887
H 2.481674 -3.873237 -0.756189
H 5.809146 0.989660 -0.683007
H 5.739297 0.690750 1.040143
H 6.967654 -0.131718 0.058655
H 0.610783 -2.491332 -0.527683
H 0.833517 -1.200693 0.656911
H 0.847648 -0.817846 -1.054036
H 5.790136 -4.646775 -1.719146
H 4.309498 -5.380141 -1.091359
H 5.647642 -5.013820 0.004548


%chk=000194010-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194010

0 1
P 0.968121 2.353944 1.511978
O -1.443313 1.653016 -2.132670
O -4.606420 2.452176 -0.474509
O -3.405744 4.149541 -2.134608
O -0.282217 2.685777 0.404422
O 1.786978 0.958328 0.680406
O 2.073748 3.630212 1.276286
O 0.449106 1.980575 2.949319
O 3.932450 1.775737 1.060249
N -2.647005 -0.114593 -1.079381
N -1.893593 -2.228409 -0.606509
N -4.842733 -0.194172 0.091616
N -5.236815 -2.363906 1.159991
N -3.686989 -4.141537 1.078297
C -3.171934 2.288763 -0.556879
C -2.534937 3.584035 -1.107275
C -2.750000 1.248241 -1.637266
C -1.234610 3.099710 -1.785510
C 0.033419 3.223190 -0.950483
C -3.648013 -0.723495 -0.324316
C -1.619616 -1.059107 -1.221813
C -3.168532 -2.029722 -0.043733
C -4.024056 -2.863370 0.735281
C -5.575044 -1.086688 0.827820
C 3.649736 -0.516521 0.243599
C 3.187213 0.808876 0.706342
C 4.907005 -0.587018 -0.457752
C 2.887641 -1.708595 0.498456
C 4.615411 -3.033615 -0.690204
C 5.350193 -1.843964 -0.918755
C 3.400306 -2.939939 0.025843
C 5.770713 0.629282 -0.743772
C 1.586320 -1.744439 1.282308
C 5.132034 -4.368773 -1.189449
H -2.710456 2.020887 0.411671
H -2.340132 4.317383 -0.303043
H -3.490382 1.245435 -2.462883
H -1.094458 3.651166 -2.733547
H 0.844321 2.629875 -1.410856
H 0.345347 4.277971 -0.850656
H -4.981782 1.535818 -0.202367
H -4.337035 3.933004 -1.844170
H -0.711501 -0.824156 -1.769026
H -6.542433 -0.734195 1.195600
H -4.335223 -4.689472 1.640766
H -2.794592 -4.529079 0.778955
H 3.024887 3.256606 1.281283
H 6.297168 -1.897691 -1.469331
H 2.828489 -3.853326 0.227246
H 5.197588 1.453508 -1.204783
H 6.199960 1.040948 0.185782
H 6.595212 0.358752 -1.424473
H 1.367497 -2.778063 1.599309
H 1.611591 -1.104940 2.180477
H 0.736086 -1.394487 0.671901
H 5.321881 -4.341371 -2.278538
H 4.416714 -5.183641 -0.988491
H 6.090130 -4.630779 -0.701854


