%chk=000244316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244316

0 1
O -0.255786 -2.706456 -2.319205
O 0.281014 2.889998 -2.033617
O 1.703324 -2.880559 -0.005384
O -1.672187 2.827085 0.290814
O 2.898309 0.253069 1.280527
O -2.861537 -0.421344 1.254797
O 0.899752 0.879987 0.418096
O -0.866631 -0.957416 0.325305
N 1.086013 -0.897647 -2.823170
N -1.062526 1.142002 -2.716096
C 0.377225 -0.493088 -4.048493
C -0.356926 0.864589 -3.978102
C 2.112348 -0.028701 -2.183364
C -2.087230 0.212170 -2.165467
C 2.370019 -0.667069 -0.796897
C -2.340715 0.705416 -0.720246
C 0.646328 -1.955983 -2.024700
C -0.620498 2.113339 -1.814940
C 1.576063 -1.986665 -0.781845
C -1.546916 2.016942 -0.572957
C 1.916770 0.236597 0.329188
C -1.883681 -0.308223 0.306297
C 2.637113 0.992969 2.522330
C -2.595869 -1.283773 2.413889
C 1.820589 0.123272 3.451842
C -1.777399 -0.512170 3.424740
H -0.350205 -1.308255 -4.298995
H 1.111561 -0.454492 -4.888106
H -1.093436 0.911766 -4.815372
H 0.369980 1.701144 -4.146025
H 1.760931 1.027962 -2.099307
H 3.035977 -0.024427 -2.800337
H -1.735934 -0.847552 -2.190959
H -3.012673 0.271096 -2.776929
H 3.459137 -0.903082 -0.661989
H -3.429453 0.925778 -0.558534
H 2.137251 1.945661 2.269329
H 3.669224 1.168067 2.877280
H -2.095795 -2.205063 2.063664
H -3.626706 -1.495510 2.752158
H 1.755559 0.558647 4.455761
H 2.256089 -0.881359 3.548077
H 0.786454 -0.012275 3.078222
H -1.708690 -1.047525 4.378846
H -2.213732 0.476787 3.624202
H -0.744608 -0.337709 3.063770


%chk=000244316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244316

0 1
O 0.127963 -2.812208 -2.409954
O -0.945107 3.215534 -2.309460
O 1.581609 -2.695632 0.242561
O -3.271904 2.648916 -0.441995
O 3.342042 -0.217198 1.552100
O -3.040680 -0.349451 1.084640
O 1.448655 1.065362 1.061529
O -1.037890 -0.754244 -0.039567
N 1.091122 -0.660159 -2.608684
N -1.379749 0.962525 -2.905176
C 0.525318 -0.363220 -3.924091
C -0.379132 0.896173 -3.971756
C 1.847524 0.328525 -1.807710
C -2.305614 -0.146328 -2.564726
C 2.403179 -0.484142 -0.613746
C -2.940790 0.287808 -1.220605
C 0.834353 -1.864464 -1.968977
C -1.572681 2.130520 -2.176009
C 1.591254 -1.813942 -0.630909
C -2.694367 1.821494 -1.167108
C 2.316821 0.226892 0.728121
C -2.219199 -0.341249 -0.021729
C 3.325550 0.263220 2.972321
C -2.409623 -0.780225 2.382723
C 2.446462 -0.649789 3.829997
C -1.658648 0.389994 3.021695
H -0.030398 -1.269361 -4.226684
H 1.337247 -0.207395 -4.663289
H -0.867655 0.913936 -4.968215
H 0.214746 1.824432 -3.883532
H 1.182248 1.133241 -1.444569
H 2.653131 0.779986 -2.414599
H -1.755150 -1.097661 -2.474196
H -3.082140 -0.255505 -3.346712
H 3.457782 -0.774363 -0.777784
H -4.017944 0.078991 -1.135089
H 2.966919 1.307478 2.984121
H 4.385235 0.219102 3.269097
H -1.742055 -1.634632 2.174042
H -3.274104 -1.104989 2.982069
H 2.518289 -0.343948 4.890312
H 2.772897 -1.699920 3.745594
H 1.390222 -0.583000 3.520167
H -1.283271 0.081473 4.015782
H -2.328126 1.255796 3.161510
H -0.796445 0.699623 2.406590


