%chk=000219087.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219087

0 1
I -5.761502 0.149440 -2.552227
O -0.268061 1.689593 1.429746
O 3.431236 -0.622083 -3.340963
O 2.993219 -1.508610 2.511682
O 1.418594 0.206323 -2.828008
O 4.285678 -1.616246 0.682341
N 2.367094 0.551483 -0.144473
N -0.613997 0.545097 -0.549235
C -1.955932 0.071543 -0.316896
C -2.928731 0.373116 -1.307874
C -2.275190 -0.701670 0.823730
C 1.494742 1.760360 -0.208976
C -2.565414 1.215521 -2.500870
C -1.228765 -1.016822 1.854654
C 0.114673 1.332851 0.328878
C -4.214593 -0.138307 -1.129486
C -3.598118 -1.150394 0.967914
C -4.561331 -0.881520 -0.002182
C 3.334628 0.488631 -1.275014
C 3.025625 0.442954 1.188828
C -1.860789 0.393064 -3.577887
C -1.551446 -2.185614 2.779490
C 2.572567 0.038494 -2.502120
C 3.517272 -0.979004 1.363223
H 1.854532 2.623262 0.394050
H 1.397864 2.132913 -1.254173
H -3.475347 1.692461 -2.933238
H -1.928405 2.069300 -2.188607
H -1.056105 -0.089769 2.460450
H -0.255045 -1.215433 1.353735
H -0.204211 0.281912 -1.464337
H -3.882008 -1.724025 1.850540
H 3.870522 1.438288 -1.499387
H 4.137681 -0.273369 -1.049487
H 3.876801 1.142390 1.353114
H 2.260910 0.676156 1.982202
H -5.578756 -1.255993 0.129149
H -0.867993 0.047950 -3.253890
H -1.715727 0.982427 -4.490278
H -2.448206 -0.493449 -3.850218
H -2.419118 -1.976668 3.416530
H -0.705698 -2.394354 3.445922
H -1.760491 -3.102546 2.215868
H 2.990558 -0.948490 -4.174183
H 3.291081 -2.446061 2.679462


%chk=000219087-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219087

0 1
I -5.022800 -0.713855 -2.994810
O -0.468009 2.248525 1.462966
O 3.515948 1.755236 -3.669325
O 2.865303 -2.837431 0.677161
O 1.342528 1.681834 -2.847055
O 1.679597 -2.004989 -1.141397
N 2.321500 0.670054 -0.343457
N -0.384626 0.462953 -0.081801
C -1.744803 -0.001461 -0.031597
C -2.469590 -0.059017 -1.268764
C -2.312009 -0.426934 1.207716
C 1.636257 1.806688 0.293680
C -1.806161 0.374024 -2.566959
C -1.495338 -0.415849 2.493909
C 0.148918 1.524488 0.627398
C -3.797102 -0.550194 -1.208137
C -3.650238 -0.885072 1.193420
C -4.398500 -0.950902 0.001405
C 3.255541 0.947534 -1.431758
C 2.673134 -0.447303 0.529558
C -1.093311 -0.800527 -3.294425
C -2.074429 -1.230280 3.668014
C 2.562341 1.486859 -2.682072
C 2.336082 -1.803905 -0.099484
H 2.116637 2.146061 1.236487
H 1.641495 2.666552 -0.399442
H -2.571848 0.797096 -3.241496
H -1.070381 1.172258 -2.371043
H -1.353597 0.637497 2.805000
H -0.475440 -0.787876 2.260095
H 0.250192 0.082158 -0.801244
H -4.118956 -1.216833 2.124183
H 4.067082 1.664649 -1.165011
H 3.760863 0.012082 -1.734976
H 3.742241 -0.469032 0.837251
H 2.090013 -0.380401 1.466925
H -5.428497 -1.316966 0.017651
H -0.297003 -1.247338 -2.671904
H -0.627566 -0.436775 -4.228080
H -1.812809 -1.597662 -3.553945
H -3.033208 -0.811070 4.024531
H -1.373764 -1.208738 4.522355
H -2.244964 -2.288156 3.394337
H 3.065570 2.095387 -4.489238
H 2.608003 -3.718267 0.290880


