%chk=000216869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216869

1 1
O 1.816555 0.270641 -0.919732
N -0.906435 0.185016 0.174242
C 0.181550 1.141134 0.675939
C -0.368768 -1.259443 0.175963
C -2.116985 0.284639 1.119406
C -1.300934 0.545662 -1.270243
C 1.292810 1.463777 -0.341305
C -0.034513 -1.795225 1.554006
C -2.800600 1.639347 1.092450
C -2.477723 -0.254302 -1.797326
C 3.089081 -0.195231 -0.359652
C 3.398516 -1.435582 -1.169353
H -0.294606 2.100856 0.996958
H 0.637853 0.696230 1.594210
H -1.121120 -1.915705 -0.322090
H 0.553376 -1.269688 -0.474577
H -2.842857 -0.518364 0.845957
H -1.774667 0.054487 2.157106
H -1.526878 1.636139 -1.315584
H -0.405907 0.371007 -1.924475
H 0.916979 2.036354 -1.213981
H 2.079298 2.070946 0.149774
H 0.476317 -2.771757 1.462443
H 0.654319 -1.150654 2.118209
H -0.916299 -1.982990 2.181351
H -3.600940 1.675382 1.854469
H -2.126167 2.475653 1.325637
H -3.292791 1.863531 0.135505
H -2.643993 -0.018409 -2.865029
H -2.323214 -1.342014 -1.755208
H -3.426856 -0.029553 -1.292031
H 3.839301 0.602940 -0.506610
H 2.950719 -0.398607 0.714158
H 4.444117 -1.749598 -1.030335
H 2.762575 -2.287489 -0.904750
H 3.263088 -1.251630 -2.247402


%chk=000216869-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216869

1 1
O 1.967662 -0.046617 -0.344423
N -0.975224 0.111498 0.306596
C 0.149274 0.975127 0.932704
C -0.595291 -1.404973 0.381021
C -2.278603 0.350351 1.114363
C -1.154251 0.493621 -1.185875
C 1.390201 1.226632 0.069268
C -0.502627 -2.004857 1.788924
C -2.926911 1.730269 0.943972
C -2.342118 -0.160917 -1.903341
C 3.304695 0.106637 -0.983265
C 3.785604 -1.279222 -1.399410
H -0.297109 1.951456 1.183525
H 0.435738 0.472351 1.869067
H -1.370775 -1.928924 -0.200487
H 0.374025 -1.474254 -0.137339
H -2.975328 -0.449482 0.812573
H -2.010780 0.183111 2.170594
H -1.243759 1.592663 -1.214367
H -0.207091 0.207115 -1.671891
H 1.163730 1.861915 -0.813806
H 2.099720 1.797709 0.708038
H -0.205094 -3.061929 1.668396
H 0.272747 -1.534517 2.416397
H -1.460891 -2.003676 2.333502
H -3.820156 1.759889 1.592873
H -2.277828 2.562426 1.265272
H -3.268684 1.926483 -0.085075
H -2.367839 0.240494 -2.932086
H -2.246459 -1.255097 -1.994071
H -3.316028 0.073420 -1.443132
H 3.210866 0.784195 -1.857923
H 3.993539 0.571586 -0.248098
H 4.784084 -1.204288 -1.865140
H 3.865521 -1.947556 -0.525323
H 3.099642 -1.735141 -2.133933


