%chk=000226053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226053

0 1
O -0.687670 -2.095582 1.496033
N -0.616309 -0.135678 0.346981
C 0.104529 0.854993 -0.488519
C -1.977789 0.234949 0.821606
C 0.901451 1.846162 0.378149
C -3.034902 -0.057318 -0.256284
C 1.595344 2.899477 -0.492836
C -4.429704 0.363500 0.221099
C 2.393607 3.894080 0.362234
C -5.496349 0.074146 -0.844678
C -0.060976 -1.349578 0.757866
C 1.311653 -1.683858 0.248160
C 3.086635 4.947665 -0.498447
C -6.888394 0.492433 -0.376930
C 2.430552 -1.404442 1.041329
C 1.456436 -2.326248 -0.987751
C 3.704283 -1.758734 0.585746
C 2.732594 -2.678614 -1.436082
C 3.855488 -2.392718 -0.651776
H 0.786665 0.327697 -1.193168
H -0.633579 1.400246 -1.118803
H -2.205780 -0.353766 1.744918
H -1.988071 1.307994 1.107030
H 0.230912 2.336340 1.110022
H 1.650410 1.297585 0.982573
H -2.780028 0.462497 -1.198576
H -3.025468 -1.139759 -0.497310
H 2.271048 2.406497 -1.218867
H 0.847340 3.445910 -1.099280
H -4.684982 -0.170696 1.157743
H -4.437804 1.440534 0.475868
H 1.721777 4.389395 1.090547
H 3.146672 3.351190 0.966760
H -5.243552 0.601423 -1.785099
H -5.494904 -1.005716 -1.093203
H 3.789965 4.493662 -1.205884
H 2.366081 5.531756 -1.082190
H 3.654225 5.652494 0.119878
H -7.185752 -0.042182 0.532765
H -6.936614 1.564774 -0.156859
H -7.643420 0.280025 -1.142182
H 2.307745 -0.925371 2.012381
H 0.578504 -2.558293 -1.589950
H 4.578230 -1.545149 1.199127
H 2.851353 -3.181185 -2.394662
H 4.848448 -2.669436 -1.003181


%chk=000226053-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226053

0 1
O -0.725994 -1.746258 1.599730
N -0.528015 0.075014 0.164207
C 0.300566 1.045225 -0.590679
C -1.881849 0.522941 0.582606
C 0.937558 2.131599 0.310363
C -3.000767 -0.120700 -0.267128
C 1.725246 3.178678 -0.508809
C -4.407011 0.341500 0.174563
C 2.388178 4.260881 0.374153
C -5.541578 -0.296553 -0.659424
C -0.059139 -1.116610 0.710856
C 1.250724 -1.687418 0.216684
C 3.174670 5.306414 -0.445729
C -6.946806 0.156913 -0.208060
C 2.200737 -2.119517 1.176261
C 1.498491 -1.928164 -1.159801
C 3.398251 -2.743723 0.765547
C 2.688053 -2.570919 -1.569404
C 3.646831 -2.969494 -0.609213
H 1.102014 0.510794 -1.124480
H -0.339989 1.525236 -1.356984
H -2.029190 0.249642 1.643303
H -1.922747 1.624849 0.496914
H 0.148501 2.639886 0.900456
H 1.612273 1.639417 1.038669
H -2.843385 0.127081 -1.336934
H -2.922326 -1.220265 -0.171267
H 2.508053 2.667669 -1.107634
H 1.045696 3.669248 -1.237435
H -4.555778 0.088474 1.244801
H -4.479071 1.447702 0.101098
H 1.606433 4.770388 0.973803
H 3.066760 3.770564 1.101164
H -5.395128 -0.043366 -1.729415
H -5.466433 -1.400419 -0.587537
H 3.986023 4.827289 -1.025457
H 2.512869 5.827861 -1.162851
H 3.633139 6.070932 0.207926
H -7.128897 -0.113895 0.849035
H -7.057505 1.254419 -0.296601
H -7.739828 -0.313000 -0.818444
H 1.979719 -1.977657 2.239391
H 0.746357 -1.644967 -1.905852
H 4.130154 -3.064867 1.514991
H 2.862320 -2.766342 -2.633448
H 4.571721 -3.463382 -0.927638


