%chk=000227937.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227937

0 1
O 0.720777 -1.452305 -1.957624
O 3.992792 2.626161 0.064827
N 1.092208 -0.956636 0.238555
N 2.820201 2.016608 -0.372071
C 1.009786 0.503262 0.013284
C -0.170790 1.140368 0.776547
C -1.517282 0.559223 0.439068
C 2.316094 1.164539 0.472896
C -1.827853 0.118909 -0.855902
C -2.497336 0.491882 1.443589
C 2.887981 0.800025 1.803781
C 0.896364 -1.856447 -0.821516
C -3.100778 -0.381647 -1.140614
C -3.769246 -0.007567 1.152449
C -4.075165 -0.445482 -0.139716
C 0.943720 -3.307338 -0.436339
H 0.871267 0.675589 -1.100638
H 0.008680 1.083787 1.869576
H -0.190911 2.230287 0.542184
H 1.138068 -1.272393 1.199495
H -1.073186 0.148227 -1.647482
H -2.272860 0.832527 2.451491
H 3.460886 -0.137463 1.735775
H 2.119400 0.677163 2.575167
H 3.592578 1.571357 2.160419
H -3.331216 -0.723583 -2.149179
H -4.524376 -0.054387 1.935138
H -5.065793 -0.832996 -0.365435
H 0.880346 -3.934663 -1.341836
H 1.873084 -3.580696 0.078592
H 0.099289 -3.590751 0.206260
H 4.223471 3.235740 -0.713542


%chk=000227937-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227937

0 1
O 0.922692 -1.457517 -2.074869
O 4.133414 2.463021 0.002123
N 1.048960 -0.980994 0.202237
N 2.874709 1.870792 -0.493320
C 0.997139 0.482818 0.030665
C -0.188991 1.122502 0.807641
C -1.569335 0.552554 0.488478
C 2.322398 1.129072 0.441329
C -1.918879 0.099648 -0.810407
C -2.559749 0.522401 1.504017
C 2.907598 0.909611 1.818099
C 1.006927 -1.859374 -0.874973
C -3.226974 -0.359528 -1.083314
C -3.869131 0.065324 1.233336
C -4.208897 -0.376414 -0.065908
C 1.052404 -3.340771 -0.513462
H 0.873796 0.652007 -1.053374
H -0.006678 1.046035 1.898735
H -0.171198 2.205927 0.571582
H 1.056027 -1.361824 1.149765
H -1.172204 0.085968 -1.612310
H -2.304542 0.865355 2.515255
H 3.872801 0.375523 1.743860
H 2.228150 0.331103 2.466181
H 3.128629 1.878355 2.301643
H -3.476558 -0.707224 -2.092122
H -4.619507 0.053359 2.032191
H -5.222737 -0.731997 -0.281419
H 1.858712 -3.824678 -1.090009
H 1.216476 -3.529725 0.561707
H 0.102373 -3.814356 -0.816864
H 4.442372 2.974329 -0.789295


