%chk=000235573.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235573

0 1
O 1.988366 1.109968 0.839422
O -1.935369 1.204641 -0.827676
O 0.045297 2.043613 0.012029
N 2.456512 1.557326 -1.873548
N -2.384263 1.636988 1.891186
C 2.351905 0.022757 0.044789
C -2.345420 0.124077 -0.046725
C 2.724464 0.289812 -1.299884
C -2.706379 0.389666 1.301352
C 2.465178 -1.249288 0.602664
C -2.513158 -1.134706 -0.620784
C 0.587395 1.294860 1.096596
C -0.527616 1.332940 -1.082269
C 3.256292 -0.766878 -2.061889
C -3.283322 -0.652841 2.049983
C 2.978892 -2.287605 -0.181452
C -3.071204 -2.159899 0.150150
C 3.374528 -2.040463 -1.499979
C -3.456130 -1.912850 1.471884
H 2.173235 -1.416910 1.637706
H -2.228450 -1.301439 -1.657984
H 0.587195 2.008767 1.941487
H 0.065789 0.345221 1.269234
H -0.046939 0.364229 -1.267326
H -0.496464 2.057152 -1.917763
H 3.562515 -0.594081 -3.090924
H -3.582033 -0.480168 3.081245
H 3.076374 -3.285554 0.239851
H -3.211429 -3.147276 -0.283818
H 3.782181 -2.852898 -2.101591
H -3.898490 -2.714637 2.063170
H 3.138666 1.877070 -2.548438
H 2.242383 2.281925 -1.183410
H -3.052532 1.977307 2.569921
H -2.138668 2.360377 1.210290


%chk=000235573-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235573

0 1
O 2.063203 1.048749 0.868838
O -2.028703 1.129146 -0.871969
O 0.033552 2.045229 0.004092
N 3.154283 1.727534 -1.566191
N -3.038693 1.831243 1.595318
C 2.429367 -0.009956 -0.026086
C -2.433637 0.080507 0.018401
C 3.030392 0.377198 -1.263476
C -2.992342 0.480926 1.271368
C 2.277800 -1.361212 0.330554
C -2.357868 -1.271587 -0.358325
C 0.632503 1.255266 1.077761
C -0.590920 1.284793 -1.076711
C 3.469990 -0.658200 -2.137423
C -3.470902 -0.542616 2.138872
C 2.707420 -2.378857 -0.554612
C -2.825203 -2.278077 0.520387
C 3.304027 -2.014614 -1.785330
C -3.382061 -1.900646 1.765702
H 1.839300 -1.612331 1.303305
H -1.948333 -1.529994 -1.341727
H 0.559533 1.871199 1.984139
H 0.111960 0.283639 1.185627
H -0.105818 0.295510 -1.189850
H -0.493624 1.903942 -1.978627
H 3.936542 -0.391018 -3.093519
H -3.906469 -0.265215 3.106620
H 2.590280 -3.431853 -0.280623
H -2.767256 -3.331840 0.230843
H 3.648389 -2.792563 -2.476179
H -3.755176 -2.669360 2.451966
H 3.617911 2.037382 -2.413959
H 2.820923 2.410531 -0.889060
H -3.473964 2.152928 2.453666
H -2.677103 2.505418 0.923707


