%chk=000231527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231527

0 1
O 2.197317 0.254309 -0.111977
O -4.125491 -2.272515 -1.797862
O -2.943628 -0.645777 -2.591865
O 2.761808 -0.105323 2.069376
N -3.725612 -1.121794 -1.787274
C -3.428197 0.507676 0.119777
C -1.954167 0.419474 0.077508
C -4.269172 -0.227201 -0.734157
C -1.264366 -0.084227 1.192154
C -1.239074 0.861788 -1.050960
C -4.029422 1.340903 1.083179
C 0.813675 0.294045 0.061987
C 0.129853 -0.154942 1.194616
C 0.151521 0.807204 -1.066829
C -5.668429 -0.158804 -0.619461
C -5.416400 1.429851 1.185748
C -6.239651 0.676531 0.336966
C 4.476797 0.024906 0.358471
C 3.109680 0.034136 0.925203
C 5.556147 -0.047346 1.256424
C 4.707284 0.079235 -1.024583
C 6.862402 -0.062850 0.765455
C 6.018135 0.062405 -1.507145
C 7.092934 -0.008072 -0.614382
H -1.819390 -0.431981 2.065073
H -1.780044 1.236690 -1.925282
H -3.392484 1.924924 1.750257
H 0.667389 -0.545059 2.062682
H 0.724041 1.140649 -1.930269
H -6.299145 -0.763740 -1.276646
H -5.865448 2.086412 1.933100
H -7.323798 0.741368 0.427534
H 5.363770 -0.092220 2.331950
H 3.860261 0.133654 -1.714316
H 7.702344 -0.118629 1.457169
H 6.201748 0.103540 -2.580336
H 8.115116 -0.021117 -0.994585


%chk=000231527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231527

0 1
O 2.254310 0.237795 -0.168211
O -4.801143 -2.353609 -1.789979
O -3.093366 -1.032963 -2.519910
O 2.850675 -0.352803 2.034216
N -4.085148 -1.278409 -1.732917
C -3.487317 0.480286 0.014927
C -1.996777 0.347211 -0.067910
C -4.460032 -0.264167 -0.716637
C -1.290531 -0.017281 1.109380
C -1.244104 0.674214 -1.228695
C -4.004872 1.372960 0.997784
C 0.837728 0.246985 -0.024102
C 0.118632 -0.085824 1.148069
C 0.160894 0.631671 -1.203777
C -5.850607 -0.128683 -0.492766
C -5.387331 1.541169 1.214912
C -6.320174 0.789389 0.463109
C 4.574630 0.019343 0.352394
C 3.176457 -0.061938 0.860193
C 5.622642 -0.250457 1.272580
C 4.882853 0.350344 -0.993559
C 6.965496 -0.189039 0.850474
C 6.228989 0.410305 -1.410419
C 7.271504 0.141578 -0.491641
H -1.853340 -0.277196 2.013148
H -1.757498 0.970893 -2.144851
H -3.288266 1.955190 1.586400
H 0.640655 -0.383538 2.057044
H 0.746290 0.887313 -2.091588
H -6.538472 -0.753954 -1.068577
H -5.734511 2.255245 1.969022
H -7.395768 0.910462 0.624522
H 5.361952 -0.504546 2.305272
H 4.069558 0.554355 -1.694522
H 7.771681 -0.397765 1.561705
H 6.466655 0.664863 -2.448816
H 8.315961 0.188705 -0.819575


