%chk=000001896.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000001896

0 1
P -2.809317 -0.406295 0.661839
P -5.181689 -1.081554 -1.192987
O 0.033511 1.465781 0.978645
O 1.273056 4.421057 0.575005
O 1.417023 2.107608 -2.065596
O -2.299249 0.299665 -0.722398
O 3.893247 -2.552337 -1.218901
O -4.082979 -1.209598 0.063946
O -3.464317 0.854951 1.475691
O -1.901703 -1.245671 1.450342
O -4.376303 -1.981479 -2.296351
O -6.216968 -2.189247 -0.624281
O -5.651555 0.244382 -1.553834
N 2.338115 1.021259 1.483907
N 4.188376 0.192064 0.084369
N 0.999236 -1.112636 1.322499
N 1.996575 -2.914796 0.025900
N 0.090589 -3.332055 1.373392
C 1.303678 2.070057 1.294859
C 1.558093 3.099533 0.153942
C 0.628592 2.661294 -1.012634
C -0.195798 1.473673 -0.462400
C 3.764614 1.299409 1.021582
C 2.086450 -0.308564 0.978352
C -1.708031 1.618961 -0.636745
C 3.117919 -0.768403 0.184988
C 4.434274 0.622314 -1.319437
C 3.106146 -2.121383 -0.408420
C 1.060768 -2.466913 0.852626
H 1.131706 2.549796 2.291149
H 2.627026 3.162527 -0.169162
H 0.020789 3.508451 -1.387789
H 0.181392 0.503472 -0.874903
H 4.396379 1.195167 1.939790
H 3.900922 2.315232 0.600619
H -1.970923 2.043438 -1.630874
H -2.173973 2.230815 0.163593
H 0.378543 4.489773 0.978685
H 1.719609 2.813736 -2.679961
H 0.222232 -0.751492 1.886082
H 5.304480 1.292922 -1.345336
H 3.573992 1.101936 -1.811975
H 4.698386 -0.283904 -1.906566
H 0.033803 -4.242503 0.923504
H -0.815299 -2.938993 1.633795
H -3.535826 0.789994 2.464052
H -3.809261 -1.532288 -2.973381
H -5.821527 -3.076657 -0.361320


%chk=000001896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001896

0 1
P -2.842823 -0.386440 0.659834
P -5.574693 -0.745304 -0.885483
O -0.282772 1.302840 0.632764
O 0.508493 4.046611 1.401459
O 0.933165 3.032245 -2.153125
O -2.741740 0.536730 -0.818971
O 5.000060 -2.810897 0.540793
O -4.295529 -1.190737 0.291568
O -3.214407 0.837812 1.800056
O -1.684309 -1.391585 1.065873
O -4.668189 -0.727887 -2.339893
O -6.398823 -2.216087 -1.014619
O -6.460101 0.487106 -0.476052
N 2.046418 0.856826 0.163074
N 4.281034 0.132289 -0.041891
N 1.136204 -1.345206 0.916223
N 2.713652 -3.177690 1.019599
N 0.433048 -3.510804 1.514589
C 1.146355 1.722813 0.888318
C 1.102976 3.183347 0.382926
C 0.193517 3.117959 -0.894895
C -0.579096 1.776678 -0.747938
C 3.384339 1.270394 -0.384129
C 2.157023 -0.518282 0.490538
C -2.090387 1.881292 -0.870360
C 3.453855 -0.965348 0.329757
C 5.490169 -0.054471 -0.851888
C 3.809360 -2.359233 0.626757
C 1.480362 -2.691007 1.142777
H 1.237872 1.654940 1.991384
H 2.085964 3.628688 0.168378
H -0.469933 4.007545 -0.876123
H -0.162368 1.064944 -1.483736
H 3.733656 2.213217 0.082042
H 3.323081 1.419874 -1.489731
H -2.376449 2.266150 -1.862673
H -2.527088 2.510332 -0.074611
H -0.302830 3.598971 1.760049
H 1.282083 3.925352 -2.400116
H 0.148139 -1.044670 0.961007
H 6.197276 0.778079 -0.684487
H 5.261759 -0.113610 -1.942239
H 5.959844 -1.001053 -0.537653
H 0.655765 -4.486498 1.689783
H -0.531069 -3.177008 1.508359
H -2.764892 0.728902 2.677524
H -3.836995 -0.172338 -2.248089
H -5.886172 -2.963281 -1.418828


