%chk=000230873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230873

0 1
O 5.544921 -1.099802 1.804192
O -5.544850 -1.098774 -1.804867
O 3.578547 1.022993 -2.151543
O -3.578564 1.021735 2.152136
N 7.249222 -0.499942 0.292956
N -7.249188 -0.499755 -0.293262
N 4.983457 -0.028579 -0.184280
N -4.983430 -0.028939 0.184359
C 8.343132 -0.634632 1.300366
C 8.090744 0.693069 0.618306
C -8.343036 -0.634891 -1.300693
C -8.090873 0.693042 -0.619017
C 5.866945 -0.574096 0.753605
C -5.866888 -0.573759 -0.753935
C 3.559736 -0.088964 -0.084063
C -3.559708 -0.089174 0.084095
C 0.739943 -0.090506 -0.019304
C -0.739917 -0.090551 0.019337
C 2.793873 0.484681 -1.147887
C -2.793871 0.483969 1.148208
C 2.876753 -0.657109 0.994300
C -2.876700 -0.656741 -0.994555
C 1.404374 0.484601 -1.120545
C -1.404376 0.483967 1.120868
C 1.476341 -0.654950 1.025190
C -1.476288 -0.654501 -1.025444
C 2.908065 1.516211 -3.336513
C -2.908078 1.514377 3.337340
H 9.178280 -1.272861 0.993075
H 8.095781 -0.771737 2.359410
H 7.675407 1.531714 1.181881
H 8.740524 1.034907 -0.194657
H -9.178100 -1.273156 -0.993258
H -8.095596 -0.772262 -2.359686
H -7.675623 1.531575 -1.182824
H -8.740730 1.035031 0.193820
H 5.354031 0.324707 -1.077053
H -5.354041 0.323837 1.077321
H 3.438743 -1.112712 1.820674
H -3.438671 -1.111942 -1.821165
H 0.822307 0.925918 -1.925286
H -0.822333 0.924906 1.925834
H 0.963245 -1.111350 1.871267
H -0.963170 -1.110448 -1.871751
H 2.345423 0.711241 -3.818703
H 2.268993 2.366856 -3.081567
H 3.756864 1.831610 -3.957224
H -2.345401 0.709182 3.819111
H -2.269041 2.365173 3.082810
H -3.756881 1.829435 3.958221


%chk=000230873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230873

0 1
O 5.683630 -0.766232 2.128782
O -5.683605 -0.765855 -2.129164
O 3.710728 0.474693 -2.244859
O -3.710820 0.473395 2.245016
N 7.289140 -0.264244 0.445571
N -7.289168 -0.264564 -0.445773
N 5.021355 -0.142926 -0.053811
N -5.021385 -0.143550 0.053738
C 8.391816 0.090514 1.374290
C 7.963326 1.077214 0.288726
C -8.391690 0.090751 -1.374473
C -7.963122 1.076975 -0.288515
C 5.951123 -0.399248 0.947225
C -5.951128 -0.399587 -0.947391
C 3.612364 -0.178653 0.042923
C -3.612390 -0.179068 -0.043017
C 0.744132 -0.182512 0.010219
C -0.744157 -0.182597 -0.010327
C 2.886842 0.151622 -1.144490
C -2.886902 0.150839 1.144519
C 2.882902 -0.514107 1.206854
C -2.882893 -0.513989 -1.207079
C 1.482891 0.151066 -1.162117
C -1.482951 0.150440 1.162139
C 1.472532 -0.512741 1.182371
C -1.472522 -0.512462 -1.182604
C 3.059038 0.801936 -3.513194
C -3.059160 0.800263 3.513463
H 9.311538 -0.488269 1.247741
H 8.111160 0.308625 2.411213
H 7.407247 1.967702 0.607772
H 8.571608 1.198686 -0.613147
H -9.311530 -0.487907 -1.248219
H -8.110892 0.309177 -2.411291
H -7.406841 1.967472 -0.607182
H -8.571471 1.198236 0.613341
H 5.384936 0.065260 -0.988907
H -5.384988 0.064244 0.988912
H 3.433503 -0.788284 2.108865
H -3.433464 -0.787891 -2.109192
H 0.944671 0.442771 -2.068449
H -0.944763 0.441857 2.068582
H 0.934178 -0.817780 2.085997
H -0.934136 -0.817088 -2.086349
H 2.447880 -0.046472 -3.876308
H 2.423934 1.703107 -3.413937
H 3.878212 1.000232 -4.219922
H -2.447908 -0.048207 3.876277
H -2.424152 1.701536 3.414517
H -3.878352 0.998224 4.220263


