%chk=000262422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262422

0 1
O 1.989208 0.309834 -0.185877
O -2.647784 -2.577146 -0.077890
O -5.903777 0.687829 0.206442
O 3.819885 -3.179691 -0.409404
O 1.982969 -2.050956 -0.276468
N -3.727657 1.428226 0.131468
N -0.579633 -0.269267 -0.086248
N -4.271868 -0.950314 0.063935
N -1.271665 1.922334 0.033122
N 3.201489 -2.131507 -0.338551
C -1.978536 -0.279702 -0.019317
C -2.381495 1.086186 0.053623
C -0.196846 1.060206 -0.052361
C -2.902750 -1.394282 -0.019020
C -4.724316 0.399664 0.138774
C 1.213490 1.548258 -0.101137
C -4.135471 2.851760 0.207649
C -5.345516 -1.983405 0.075086
C 3.346667 0.378859 -0.248398
C 3.975953 -0.888979 -0.327471
C 4.106997 1.561631 -0.239268
C 5.384044 -0.948037 -0.397049
C 5.494227 1.469740 -0.309165
C 6.133973 0.220263 -0.387852
H 0.022163 -1.090268 -0.146801
H 1.402046 2.165200 -1.002925
H 1.489493 2.094980 0.823170
H -3.699242 3.327024 1.104141
H -5.238891 2.928177 0.262168
H -3.782651 3.398761 -0.684660
H -4.897944 -2.993385 0.006590
H -6.028940 -1.836857 -0.779105
H -5.934101 -1.916131 1.006297
H 3.629290 2.535984 -0.178910
H 5.866698 -1.932597 -0.458093
H 6.096358 2.382615 -0.302825
H 7.221635 0.171391 -0.441667


%chk=000262422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262422

0 1
O 1.938408 0.356648 -0.171504
O -2.567748 -2.597719 -0.078983
O -5.966326 0.666050 0.202927
O 3.955638 -3.286986 -0.415445
O 1.953103 -2.229961 -0.275221
N -3.748505 1.429336 0.133566
N -0.588163 -0.185326 -0.075462
N -4.257118 -0.933608 0.063345
N -1.330206 1.970724 0.042896
N 3.244126 -2.209601 -0.339275
C -1.982481 -0.248211 -0.012376
C -2.407219 1.089684 0.059171
C -0.248410 1.151516 -0.039331
C -2.883788 -1.373096 -0.016044
C -4.730740 0.407217 0.137494
C 1.180449 1.612850 -0.089372
C -4.164151 2.842683 0.206412
C -5.309335 -1.976401 0.068533
C 3.316204 0.348653 -0.244291
C 3.975262 -0.918760 -0.327477
C 4.101658 1.529674 -0.240124
C 5.387177 -0.980822 -0.404376
C 5.505329 1.452289 -0.317183
C 6.154185 0.196953 -0.399661
H 0.082229 -0.962679 -0.137286
H 1.366042 2.246206 -0.979055
H 1.450576 2.180117 0.822998
H -3.742496 3.316804 1.108723
H -5.262867 2.862658 0.245580
H -3.804271 3.389838 -0.681060
H -4.803220 -2.950654 0.003980
H -5.987099 -1.834213 -0.788898
H -5.904176 -1.909597 0.994023
H 3.615809 2.507492 -0.176070
H 5.850980 -1.968486 -0.467224
H 6.094046 2.375583 -0.312552
H 7.244599 0.139545 -0.459376


