%chk=000201192.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201192

0 1
O 3.062603 -3.104365 0.058966
O -5.522415 0.836207 -1.783362
O -6.077687 2.407804 -0.093512
O 4.409358 1.981356 1.947748
O 5.508540 2.738821 -0.014779
N -1.377937 -1.819017 0.134265
N 1.312634 -2.019165 -0.923688
C -0.483197 -0.615323 0.095569
C -0.571548 -3.067675 0.347373
C 0.522454 -0.769279 -1.064719
C 0.446378 -3.224493 -0.801165
C -2.413455 -1.683846 1.213242
C -3.367381 -0.555252 0.898228
C 2.585935 -2.050138 -0.327877
C 3.351526 -0.757352 -0.307026
C -3.940332 -0.486807 -0.400181
C -3.692425 0.373911 1.887581
C -4.827497 0.540133 -0.617258
C -5.160863 1.485826 0.398874
C 3.425692 -0.055066 0.922721
C -4.609368 1.426782 1.657750
C 3.996791 -0.317915 -1.460018
C 4.173108 1.098929 0.901683
C 4.834824 1.556712 -0.280049
C 4.765486 0.870143 -1.471190
C -6.333876 2.019051 -1.482716
C 5.273835 3.032463 1.403421
H 0.055492 -0.439628 1.050540
H -1.119672 0.279755 -0.087713
H -1.267065 -3.935000 0.335024
H -0.043221 -3.086981 1.325008
H 1.187480 0.117908 -1.118638
H -0.026383 -0.824983 -2.035095
H -0.082406 -3.363004 -1.771119
H 1.082360 -4.124834 -0.629792
H -1.970231 -1.557619 2.226227
H -2.998395 -2.635404 1.244154
H -3.668483 -1.207851 -1.170072
H -3.237846 0.301389 2.874804
H 2.936754 -0.419990 1.822110
H -4.858358 2.142903 2.434889
H 3.919384 -0.898974 -2.381458
H 5.272819 1.210984 -2.369469
H -7.390451 1.732061 -1.563455
H -5.990491 2.836177 -2.130271
H 6.240001 2.978553 1.922820
H 4.727927 3.982991 1.463727


%chk=000201192-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201192

0 1
O 3.084689 -2.806987 0.382750
O -5.516766 0.778545 -2.204756
O -6.717131 2.015790 -0.536956
O 6.253149 1.237284 1.692537
O 6.192988 2.690365 -0.218327
N -1.514765 -1.671443 0.344576
N 1.255074 -1.639688 -0.469835
C -0.701353 -0.440394 0.483617
C -0.668795 -2.880116 0.509787
C 0.433705 -0.411943 -0.563027
C 0.457375 -2.885020 -0.541022
C -2.706382 -1.677140 1.226393
C -3.759173 -0.654455 0.808674
C 2.583067 -1.714040 -0.044751
C 3.443107 -0.478242 -0.138695
C -4.058838 -0.486075 -0.576488
C -4.467639 0.085968 1.785477
C -5.069249 0.415129 -0.905947
C -5.778215 1.143885 0.074973
C 4.395412 -0.275458 0.905236
C -5.497707 1.004387 1.434695
C 3.421121 0.380634 -1.268491
C 5.258791 0.808870 0.776320
C 5.224872 1.667268 -0.345860
C 4.321116 1.472925 -1.392932
C -6.709131 1.635656 -1.974741
C 6.962780 2.351258 1.012360
H -0.253810 -0.361304 1.508048
H -1.354316 0.437498 0.330566
H -1.299258 -3.778056 0.370627
H -0.211854 -2.934105 1.529687
H 1.063576 0.473804 -0.394047
H -0.013927 -0.345379 -1.574596
H 0.010271 -2.957483 -1.551600
H 1.140527 -3.732304 -0.371643
H -2.437303 -1.507458 2.299661
H -3.141026 -2.695789 1.168991
H -3.494152 -1.040579 -1.330332
H -4.219479 -0.049613 2.844417
H 4.443284 -0.968180 1.748488
H -6.038878 1.578743 2.190702
H 2.722279 0.178528 -2.086591
H 4.313988 2.125937 -2.268871
H -7.622030 1.051061 -2.198150
H -6.619990 2.546854 -2.585664
H 7.973504 2.012641 0.719423
H 6.976890 3.229121 1.677421


