%chk=000194967.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194967

0 1
I 2.246689 2.491219 0.694029
O -5.199836 -0.263932 1.382779
O -3.414259 -2.529109 -2.231237
O 5.833361 -1.364163 -0.635966
O 8.274478 -2.399029 1.346099
O 6.234511 -2.383633 2.278993
N -2.911087 -0.447652 1.329865
N -4.319922 -1.426007 -0.419302
N -0.633987 -1.845739 -1.059242
N -0.449038 -0.689145 0.910674
N 0.374520 4.174379 -1.845362
N 1.606202 4.252759 -2.057136
N 2.634581 4.469426 -2.485784
C -1.793605 -0.861352 0.605336
C -2.762131 0.427495 2.528029
C -1.939843 -1.579126 -0.610650
C -4.220887 -0.683482 0.793802
C -5.708279 -1.755736 -0.885952
C -3.212582 -1.919941 -1.201455
C -2.994022 1.910661 2.199104
C 0.240896 -1.284332 -0.126474
C -6.217748 -3.039502 -0.214810
C -2.054228 2.469835 1.169624
C 1.696695 -1.314870 -0.237528
C -7.615776 -3.388306 -0.714221
C -0.668881 2.327556 1.300353
C -2.567959 3.164085 0.056919
C 2.470787 -1.097705 0.918153
C 2.333875 -1.524807 -1.478137
C 0.198229 2.857591 0.339508
C -1.715743 3.703385 -0.895085
C 3.865440 -1.102244 0.851053
C 3.719608 -1.529981 -1.565076
C -0.309294 3.554213 -0.764672
C 4.469269 -1.316546 -0.389957
C 6.747662 -0.898406 0.367375
C 6.978815 -1.961504 1.430546
H -1.746422 0.263377 2.958372
H -3.511422 0.093702 3.286528
H -5.678708 -1.874583 -1.994642
H -6.376575 -0.895937 -0.651210
H -4.052995 2.041978 1.876514
H -2.904692 2.502235 3.137039
H -0.424949 -2.352987 -1.901930
H -6.229031 -2.910663 0.886733
H -5.521039 -3.876981 -0.420607
H -7.630708 -3.558311 -1.797517
H -7.984667 -4.304347 -0.237017
H -8.337835 -2.593524 -0.491935
H -0.261487 1.770893 2.151647
H -3.647111 3.278909 -0.061887
H 1.973145 -0.926562 1.879609
H 1.746865 -1.670923 -2.385108
H -2.115380 4.244188 -1.756694
H 4.452171 -0.984730 1.762744
H 4.234088 -1.689873 -2.511500
H 6.406075 0.048384 0.826792
H 7.667282 -0.721869 -0.239489
H 8.495384 -3.100133 2.021262


%chk=000194967-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194967

0 1
I 1.810046 2.840307 -0.658897
O -5.006186 -0.288568 1.349222
O -3.329576 -2.805293 -2.285951
O 6.044150 -2.151078 -0.606662
O 7.962906 -1.636101 2.491847
O 6.428992 -3.322347 1.993978
N -2.685604 -0.421059 1.109558
N -4.158261 -1.501651 -0.480329
N -0.528175 -2.120381 -1.138383
N -0.268240 -0.825923 0.711984
N -0.422744 5.457769 -1.596518
N 0.761852 5.638174 -2.001004
N 1.743066 6.041439 -2.534854
C -1.612024 -0.959340 0.412288
C -2.483233 0.381861 2.341903
C -1.811002 -1.753818 -0.726000
C -4.007607 -0.712982 0.695801
C -5.555043 -1.796113 -0.906474
C -3.101141 -2.088210 -1.262663
C -2.924582 1.856316 2.213139
C 0.384524 -1.550459 -0.255573
C -6.127126 -3.052412 -0.213464
C -2.210218 2.716825 1.177475
C 1.835359 -1.708251 -0.341251
C -7.565285 -3.344221 -0.690649
C -0.867204 2.493365 0.785673
C -2.889618 3.827002 0.611478
C 2.655831 -1.110141 0.650914
C 2.462809 -2.445741 -1.386329
C -0.214766 3.354215 -0.125483
C -2.246735 4.689581 -0.287274
C 4.056626 -1.235972 0.612290
C 3.858266 -2.576469 -1.436526
C -0.890972 4.483159 -0.672102
C 4.659731 -1.971105 -0.437753
C 6.952539 -1.531285 0.338545
C 7.039242 -2.290882 1.665656
H -1.414641 0.290292 2.597152
H -3.076892 -0.081215 3.149939
H -5.527254 -1.945271 -1.999161
H -6.169912 -0.913748 -0.663339
H -4.011879 1.874084 2.022081
H -2.779358 2.310152 3.216434
H -0.332765 -2.707821 -1.947693
H -6.117234 -2.895973 0.881278
H -5.473058 -3.916019 -0.437439
H -7.596435 -3.517179 -1.782704
H -7.970766 -4.244591 -0.195453
H -8.241516 -2.499814 -0.459816
H -0.321580 1.624923 1.168165
H -3.934716 4.016586 0.881319
H 2.174400 -0.548562 1.456602
H 1.871096 -2.922486 -2.176855
H -2.766502 5.549017 -0.721154
H 4.651109 -0.773640 1.405802
H 4.350062 -3.139509 -2.234650
H 6.701976 -0.470793 0.535334
H 7.943999 -1.561214 -0.142863
H 8.059768 -2.128834 3.351308


