%chk=000189287.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189287

0 1
O 4.508724 -0.316154 1.356143
O 2.291181 -2.684159 0.388188
O 4.692360 -3.016096 -0.326885
O 6.150900 0.132655 -1.889945
O -0.762942 4.108691 0.544283
O -2.316521 -3.098221 -0.529694
N 2.433852 0.742505 1.095725
N 0.049793 0.041394 0.619162
N 2.101028 3.009968 1.069678
N -1.463082 1.933981 0.383605
N -2.276905 -0.334748 0.352489
N -4.651893 -0.944209 0.089326
N -5.619040 1.059570 -0.372049
C 2.879080 -1.467392 -0.023885
C 3.107003 -0.566505 1.232609
C 4.294164 -1.673517 -0.632876
C 5.225791 -0.736481 0.161815
C 5.592732 0.527099 -0.635673
C 1.071980 0.965852 0.850153
C 3.017239 2.052835 1.233460
C 0.883833 2.368469 0.828915
C -1.261362 0.642019 0.432414
C -0.451082 2.950251 0.590814
C -3.621354 0.041191 0.071599
C -4.476244 -2.376547 0.356359
C -5.863367 -0.255433 -0.203071
C -4.245179 1.259300 -0.206221
C -3.731209 -3.090950 -0.786407
C -7.178437 -0.921406 -0.291193
H 2.156513 -1.040946 -0.755317
H 2.809921 -1.058689 2.192756
H 4.339648 -1.490324 -1.727736
H 6.112228 -1.275172 0.565370
H 6.285186 1.176717 -0.073421
H 4.697233 1.118340 -0.919239
H 3.003713 -3.321871 0.698540
H 4.595716 -3.588232 -1.122407
H 4.066145 2.172957 1.460783
H 0.191540 -0.950600 0.797835
H 7.095062 -0.113450 -1.787448
H -2.007601 -1.267886 -0.027311
H -3.916239 -2.506018 1.315203
H -5.476977 -2.842049 0.514543
H -3.798525 2.244831 -0.283848
H -4.085021 -4.126364 -0.925888
H -3.803694 -2.544592 -1.750444
H -7.955429 -0.181753 -0.568255
H -7.200111 -1.706467 -1.058903
H -7.488446 -1.354307 0.670837
H -2.094105 -3.747287 0.170012


%chk=000189287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189287

0 1
O 4.510447 0.165172 0.787969
O 1.540866 -1.979893 0.364332
O 3.889976 -3.015632 0.637485
O 6.233240 -1.278245 -2.219559
O -1.035752 4.310004 1.581830
O -1.799193 -2.492019 -1.019828
N 2.370882 1.119934 1.145328
N 0.015270 0.359823 0.760326
N 1.931017 3.325464 1.579992
N -1.636757 2.133121 0.921924
N -2.224211 -0.087830 0.291242
N -4.456415 -0.994461 -0.030042
N -5.772694 0.853956 -0.011149
C 2.639353 -1.109353 -0.040596
C 3.108352 -0.144287 1.092821
C 3.928942 -1.915010 -0.345967
C 5.069521 -0.909547 -0.085899
C 5.582784 -0.256220 -1.384311
C 0.990242 1.293047 1.057351
C 2.892048 2.402344 1.485830
C 0.721098 2.647105 1.318605
C -1.304797 0.877277 0.677087
C -0.673110 3.135525 1.305390
C -3.607361 0.122124 0.172721
C -4.083238 -2.413047 0.024585
C -5.771794 -0.484575 -0.137776
C -4.435115 1.246474 0.183062
C -3.218319 -2.911420 -1.155006
C -6.984409 -1.336096 -0.366551
H 2.303633 -0.536005 -0.919465
H 3.050959 -0.666289 2.071817
H 3.965177 -2.312448 -1.375577
H 5.904041 -1.392615 0.457149
H 6.258730 0.583229 -1.135833
H 4.746051 0.139467 -1.984287
H 1.974682 -2.759025 0.818309
H 4.529486 -3.727038 0.394589
H 3.958078 2.557902 1.617526
H 0.238273 -0.643886 0.666111
H 7.196984 -1.327462 -2.003763
H -1.861601 -0.955020 -0.154880
H -3.561382 -2.633692 0.978045
H -5.022971 -2.992730 0.025118
H -4.135071 2.277418 0.330561
H -3.276355 -4.015034 -1.221444
H -3.572998 -2.473718 -2.102018
H -7.847534 -0.657915 -0.452017
H -6.923506 -1.931199 -1.298648
H -7.187518 -2.034320 0.469703
H -1.250232 -3.212555 -0.627693


