%chk=000219352.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219352

0 1
O 1.358559 1.711214 -0.185014
O -3.502268 2.009917 2.064613
O -3.540750 2.191175 -0.172587
O -3.716275 -2.148574 -2.704880
O 0.745873 0.971162 1.909625
O -4.398792 -2.592903 -0.619186
N -0.787321 1.153101 0.159961
C -1.936195 0.646852 0.927856
C -2.442680 -0.715466 0.424149
C -2.858309 -0.721477 -1.047310
C -3.056091 1.690950 0.813318
C 0.468946 1.236898 0.758027
C -3.732515 -1.900561 -1.350554
C 2.762701 1.796750 0.234688
C 3.424608 0.461820 0.054571
C 3.319655 -0.510220 1.060984
C 4.148097 0.183534 -1.113581
C 3.944424 -1.749160 0.901763
C 4.773084 -1.057516 -1.267333
C 4.673471 -2.023106 -0.260588
H -1.637233 0.545512 2.019931
H -3.296765 -1.044920 1.062198
H -1.648555 -1.475996 0.593193
H -3.414963 0.212295 -1.319615
H -1.970319 -0.723423 -1.718531
H -0.912122 1.365698 -0.829002
H 2.805737 2.161117 1.279215
H 3.131371 2.576495 -0.459229
H 2.738006 -0.296290 1.963173
H 4.222278 0.929101 -1.903690
H -4.239956 2.682551 2.059914
H 3.862957 -2.502098 1.684395
H 5.336792 -1.272211 -2.173701
H 5.162017 -2.988617 -0.381907
H -4.300669 -2.911103 -2.964363


%chk=000219352-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219352

0 1
O 1.406645 1.873205 0.251840
O -4.447806 1.907909 0.926948
O -3.053552 2.886679 -0.652478
O -2.884316 -2.574002 -2.163795
O 0.450047 0.661306 2.045300
O -2.578105 -3.076940 0.082227
N -0.850748 1.644037 0.363046
C -2.131344 1.243674 0.951901
C -2.438216 -0.277048 0.788163
C -2.498473 -0.718976 -0.683930
C -3.215303 2.105813 0.312565
C 0.337000 1.328908 0.980632
C -2.649513 -2.220422 -0.825199
C 2.777204 1.514868 0.760083
C 3.283510 0.231179 0.138716
C 3.003980 -1.020557 0.747015
C 4.043067 0.263594 -1.058430
C 3.474362 -2.217654 0.163323
C 4.514226 -0.933140 -1.642908
C 4.230643 -2.177031 -1.031879
H -2.119844 1.450965 2.039793
H -3.391850 -0.497698 1.298483
H -1.646183 -0.831430 1.319454
H -3.330223 -0.240438 -1.235267
H -1.572038 -0.424441 -1.215712
H -0.856607 2.253542 -0.459607
H 2.719152 1.442222 1.859641
H 3.382269 2.384806 0.460474
H 2.407851 -1.045665 1.666168
H 4.263023 1.227965 -1.533090
H -5.138327 2.474844 0.487905
H 3.253853 -3.179383 0.639748
H 5.102220 -0.897071 -2.566858
H 4.597892 -3.106274 -1.482158
H -2.957699 -3.564846 -2.231613


