%chk=000257048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257048

0 1
O 0.084766 2.944538 0.188415
O 2.688286 -0.703801 -1.409025
O -1.350989 2.407836 -1.337736
O 3.026307 -2.222324 0.095509
N -0.362093 2.196284 -0.660417
N 2.316956 -1.454959 -0.523661
C 0.339011 -0.060134 0.310318
C -1.096498 -0.237678 0.857252
C 1.259181 0.513717 1.415082
C 0.360769 0.898386 -0.915110
C 0.849856 -1.448632 -0.169491
C -2.140700 -0.650918 -0.186033
C 1.476618 -0.415389 2.601973
C -3.484858 -0.983590 0.479708
C -4.539310 -1.372104 -0.553154
H -1.078132 -0.980009 1.682554
H -1.421165 0.705147 1.346681
H 2.242085 0.796760 0.984165
H 0.834416 1.480636 1.771763
H 1.418882 1.121747 -1.208371
H -0.094421 0.407851 -1.806508
H 0.266886 -1.794682 -1.053015
H 0.674168 -2.205952 0.632494
H -2.293068 0.167326 -0.921886
H -1.791565 -1.523787 -0.768522
H 2.037423 0.099238 3.394939
H 2.062108 -1.305007 2.334046
H 0.533939 -0.752090 3.047721
H -3.355919 -1.805831 1.210190
H -3.841147 -0.111355 1.063961
H -4.243409 -2.257304 -1.126796
H -5.498212 -1.599613 -0.072538
H -4.721072 -0.561806 -1.270007


%chk=000257048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257048

0 1
O 0.440825 3.183623 0.046695
O 2.693234 -0.764860 -1.663464
O -1.518498 2.437085 -0.848502
O 3.148761 -2.066178 0.153587
N -0.273417 2.291289 -0.546128
N 2.339924 -1.422139 -0.610202
C 0.360133 -0.042343 0.295589
C -1.100551 -0.270510 0.812178
C 1.279568 0.478890 1.449204
C 0.391024 0.971242 -0.901095
C 0.861065 -1.419074 -0.249856
C -2.142196 -0.803475 -0.200938
C 1.437868 -0.451675 2.673146
C -3.551267 -0.902563 0.430520
C -4.605196 -1.459261 -0.549862
H -1.052851 -0.972858 1.666854
H -1.467907 0.689202 1.226580
H 2.282958 0.697806 1.032419
H 0.881399 1.453491 1.786935
H 1.426581 1.210256 -1.185346
H -0.157926 0.580962 -1.771265
H 0.326601 -1.700537 -1.171770
H 0.734556 -2.199183 0.515464
H -2.202172 -0.134382 -1.080236
H -1.852444 -1.809438 -0.569089
H 2.110405 0.025385 3.408183
H 1.889617 -1.422919 2.404702
H 0.477190 -0.637229 3.185121
H -3.506644 -1.544890 1.333939
H -3.860927 0.104246 0.775045
H -4.337519 -2.478033 -0.888833
H -5.603373 -1.512475 -0.078799
H -4.689721 -0.816953 -1.446276


