%chk=000198369.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198369

0 1
I 0.613656 -3.399329 0.987408
I -0.920199 2.328793 1.501697
I 4.815399 0.800062 -0.010424
O -1.997710 -0.693280 -1.366663
O -1.229081 -0.612427 0.813442
O -4.892820 -0.698628 1.635814
O -4.841611 1.456462 -0.279917
O -3.569830 -3.139778 -0.046471
O -2.393298 1.793316 -3.301040
O 4.113866 -2.459394 1.424520
O 0.571160 3.221713 -1.232469
N 2.201959 2.692028 0.301858
N 3.736088 -2.647628 -0.830973
C -4.333619 -0.836431 0.325176
C -3.775620 0.523903 -0.150306
C -3.203205 -1.874317 0.488942
C -2.993063 0.365057 -1.462620
C -1.881588 -1.452018 -0.195160
C -2.253806 1.645220 -1.883668
C 0.118893 -0.383690 0.703601
C 1.095345 -1.392334 0.629030
C 0.498586 0.972047 0.753043
C 2.435958 -1.030776 0.457203
C 1.825142 1.333064 0.465769
C 2.797696 0.308033 0.335442
C 3.510640 -2.111668 0.428820
C 1.468448 3.606820 -0.518250
C 4.740590 -3.712437 -1.023201
C 1.952947 5.018744 -0.411422
H -5.139257 -1.218175 -0.341238
H -3.137457 0.984057 0.660062
H -3.037971 -2.093465 1.581005
H -3.646279 0.017816 -2.299752
H -1.242964 -2.310774 -0.517346
H -2.743696 2.554570 -1.477966
H -1.185081 1.639908 -1.589067
H -5.359121 0.170023 1.712273
H -5.384729 1.282159 -1.079536
H -3.813475 -3.072189 -0.996142
H -1.705461 1.270698 -3.763131
H 3.122090 2.962588 0.675413
H 3.217657 -2.349410 -1.647831
H 5.514889 -3.390144 -1.738878
H 4.263965 -4.635785 -1.392367
H 5.243012 -3.951004 -0.062957
H 1.901788 5.401316 0.619250
H 1.320719 5.680873 -1.029406
H 2.985347 5.143211 -0.766466


%chk=000198369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198369

0 1
I 0.617772 -3.437922 1.238063
I -0.742965 2.453315 1.677305
I 4.851611 0.810104 -0.265299
O -1.888441 -0.221270 -1.254105
O -1.200924 -0.700266 1.043678
O -4.781886 -1.163066 1.659819
O -5.167417 1.283504 -0.000147
O -3.346284 -2.953889 -0.972308
O -1.870475 2.141195 -2.792861
O 4.270199 -2.408786 1.591551
O 0.655994 2.921406 -1.510416
N 2.216210 2.675931 0.210133
N 3.755820 -2.789002 -0.657432
C -4.300500 -1.009366 0.289505
C -3.942571 0.457643 -0.007622
C -3.095587 -1.966965 0.092539
C -3.157074 0.580368 -1.329165
C -1.779405 -1.242932 -0.247192
C -2.796604 2.042073 -1.680022
C 0.163145 -0.388838 0.910767
C 1.161221 -1.398663 0.824288
C 0.574468 0.967471 0.889399
C 2.514493 -1.073528 0.553275
C 1.890860 1.319011 0.491177
C 2.847899 0.282404 0.327437
C 3.594085 -2.150029 0.553307
C 1.585294 3.406652 -0.807586
C 4.736529 -3.862852 -0.856263
C 2.080510 4.835083 -0.969574
H -5.090431 -1.325625 -0.434312
H -3.343734 0.863943 0.824471
H -2.962203 -2.560374 1.008325
H -3.739848 0.140492 -2.170526
H -1.057393 -1.967439 -0.660956
H -3.726193 2.554519 -1.987213
H -2.410982 2.549911 -0.776157
H -5.425194 -0.427615 1.837948
H -5.752737 1.002754 -0.752381
H -3.336736 -2.493457 -1.852096
H -0.941798 2.182025 -2.439552
H 3.043405 3.081127 0.654935
H 3.162476 -2.505895 -1.439649
H 5.458282 -3.596739 -1.649576
H 4.236173 -4.811627 -1.123374
H 5.279588 -3.999973 0.091996
H 1.382775 5.517275 -0.449506
H 2.070448 5.099036 -2.038443
H 3.093022 4.996277 -0.561079


