%chk=000229239.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229239

0 1
O -3.624985 -2.457157 0.201496
O 0.132456 0.495139 0.097406
O -1.033317 -1.933645 0.018666
O 0.476775 0.419167 -2.140023
O 7.288956 0.457782 -0.301544
O 6.720873 -0.362250 1.619109
N 6.464352 0.077587 0.511758
C -3.274653 -1.234411 -0.459060
C -4.156660 -0.170857 0.162459
C -1.762349 -0.990275 -0.159332
C -3.444122 -1.406965 -1.965358
C -1.296388 0.453400 -0.120223
C -4.678795 -0.377470 1.447523
C -4.448333 1.016584 -0.524780
C -5.478932 0.600694 2.044160
C -5.245870 1.992986 0.077517
C -5.760410 1.788213 1.362290
C 2.363386 0.317194 -0.602143
C 0.938605 0.399594 -1.024648
C 3.350945 0.734644 -1.508304
C 2.706276 -0.185300 0.660799
C 5.030309 0.158895 0.121879
C 4.695963 0.657717 -1.145484
C 4.051148 -0.266339 1.029346
H -3.147732 -0.521255 -2.537420
H -2.857760 -2.255026 -2.344317
H -4.497007 -1.622247 -2.204295
H -1.561791 1.003838 -1.045080
H -1.693741 0.989609 0.767700
H -4.468001 -1.316088 1.968997
H -4.069147 1.181673 -1.532048
H -2.940619 -3.153342 0.027614
H -5.885865 0.433484 3.040849
H -5.472028 2.913971 -0.458142
H -6.383309 2.550715 1.827857
H 3.063336 1.110885 -2.495292
H 1.918704 -0.512503 1.349596
H 5.485920 0.977797 -1.835023
H 4.343711 -0.656142 2.011495


%chk=000229239-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229239

0 1
O -3.678071 -2.490181 -0.386811
O 0.141259 0.514655 0.398099
O -1.156715 -1.950246 0.267560
O 0.385355 0.013097 -1.863542
O 7.363059 -0.108386 -0.747186
O 7.000587 0.296211 1.468437
N 6.587385 0.105160 0.261286
C -3.258416 -1.112264 -0.643452
C -4.252912 -0.169230 0.054018
C -1.834848 -0.935396 -0.031520
C -3.137185 -0.899442 -2.177195
C -1.314021 0.488008 0.184971
C -4.815136 -0.567366 1.294583
C -4.590978 1.100707 -0.477145
C -5.691815 0.290838 1.992079
C -5.470310 1.959601 0.221301
C -6.019877 1.560509 1.460519
C 2.365191 0.192160 -0.442405
C 0.903804 0.214072 -0.739079
C 3.256951 -0.040861 -1.521813
C 2.865409 0.391603 0.870689
C 5.118680 0.133802 0.015721
C 4.645034 -0.071471 -1.298815
C 4.252400 0.363370 1.106853
H -2.755185 0.098447 -2.452754
H -2.445320 -1.648723 -2.596745
H -4.133349 -1.045109 -2.627013
H -1.591195 1.136552 -0.663946
H -1.745422 0.902737 1.111245
H -4.583875 -1.565280 1.678903
H -4.190984 1.421723 -1.444996
H -2.848285 -3.025101 -0.230794
H -6.125457 -0.032526 2.944963
H -5.729828 2.934667 -0.205793
H -6.702964 2.225646 2.000297
H 2.843177 -0.196675 -2.522756
H 2.164144 0.561541 1.691016
H 5.358008 -0.248388 -2.107783
H 4.671605 0.511835 2.105003


