%chk=000268313.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268313

0 1
O 4.019240 3.190541 0.487534
O -6.723100 -1.444432 -0.616210
O -7.156863 0.565307 0.258596
N 4.369553 0.964323 0.112690
N -0.675010 0.437812 -0.246898
C 3.884278 -0.348319 -0.013797
C 2.493588 -0.597945 0.159783
C 1.615851 0.516186 0.457410
C 3.513347 2.086877 0.398378
C 2.096326 1.776098 0.566541
C 4.756825 -1.435871 -0.308884
C 2.011936 -1.923529 0.018032
C 5.816909 1.242976 -0.068535
C 4.251324 -2.714470 -0.431845
C 2.869988 -2.966456 -0.269711
C 0.167258 0.247653 0.705379
C -2.079671 0.231799 -0.125026
C -2.901744 1.271943 0.352990
C -2.641169 -0.967567 -0.606745
C -4.849913 -0.088078 -0.133078
C -4.284001 1.108776 0.342303
C -4.025092 -1.120195 -0.611453
C -6.316623 -0.220862 -0.118229
H 1.460685 2.640946 0.769530
H 5.822723 -1.262027 -0.441255
H 0.943908 -2.115003 0.133275
H 6.149556 0.969829 -1.083157
H 6.420546 0.705527 0.680363
H 6.007270 2.330727 0.064353
H 4.919891 -3.546989 -0.659091
H 2.494720 -3.981994 -0.377497
H -0.047422 -0.098034 1.732862
H -2.459583 2.201739 0.708596
H -1.997880 -1.757741 -0.990752
H -4.939838 1.907438 0.705134
H -4.480165 -2.043021 -0.985958
H -7.713749 -1.537761 -0.612025


%chk=000268313-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268313

0 1
O 3.624878 3.036396 -1.170732
O -7.177620 0.058736 -0.924414
O -6.940645 -0.912036 1.172568
N 4.300998 0.935274 -0.344690
N -0.798907 0.641074 -0.444788
C 3.992866 -0.351724 0.130262
C 2.618252 -0.775396 0.238756
C 1.571285 0.169897 -0.153066
C 3.300066 1.882593 -0.742669
C 1.922515 1.426580 -0.616711
C 5.034858 -1.248730 0.506508
C 2.352919 -2.090833 0.719387
C 5.707024 1.374605 -0.457885
C 4.734071 -2.536296 0.977717
C 3.386909 -2.965410 1.085515
C 0.137191 -0.188146 -0.056652
C -2.172102 0.353623 -0.271035
C -2.693356 -0.260792 0.908253
C -3.069127 0.763222 -1.298311
C -4.960115 -0.106675 -0.009115
C -4.073892 -0.484810 1.034064
C -4.446890 0.521575 -1.176264
C -6.408790 -0.369065 0.172351
H 1.145321 2.136115 -0.911083
H 6.079567 -0.939767 0.430224
H 1.320057 -2.439904 0.806130
H 6.266474 0.727109 -1.156104
H 6.202191 1.365735 0.529271
H 5.689506 2.403014 -0.848824
H 5.549491 -3.210274 1.261392
H 3.154735 -3.970578 1.450636
H -0.117918 -1.190490 0.335691
H -2.017083 -0.519791 1.730698
H -2.656449 1.261361 -2.180542
H -4.492262 -0.946983 1.934291
H -5.138776 0.821886 -1.967495
H -8.133341 -0.144892 -0.739733


