%chk=000227777.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227777

0 1
O 1.892522 -1.707218 0.393489
N -1.240776 -1.642325 -0.600990
C -0.896721 -0.457117 0.003127
C -0.251341 -2.566314 -1.220418
C -2.641488 -2.154546 -0.565175
C -2.045563 0.417989 0.428474
C 0.347841 0.086904 0.205188
C 0.262482 -2.005364 -2.543619
C -2.895400 -3.008904 0.675198
C -2.660111 1.270679 -0.499210
C -2.461009 0.410910 1.766521
C 1.656696 -0.519421 0.195584
C 2.822314 0.416451 -0.007515
C -3.700746 2.106971 -0.086503
C -3.504327 1.248618 2.171501
C -4.125320 2.094267 1.246625
C 2.738496 1.501618 -0.889128
C 4.016949 0.166392 0.682018
C 3.843071 2.338530 -1.072699
C 5.117470 1.009150 0.503347
C 5.030348 2.095250 -0.373707
H 0.604030 -2.746075 -0.508647
H -0.724507 -3.559221 -1.379301
H -3.365647 -1.309223 -0.603993
H -2.820205 -2.750195 -1.489739
H 0.364905 1.142447 0.501046
H -0.540550 -1.864704 -3.273916
H 0.754908 -1.033035 -2.402770
H 1.007979 -2.679271 -2.983443
H -2.183394 -3.840274 0.754083
H -2.799583 -2.421565 1.597522
H -3.904268 -3.436571 0.659962
H -2.321170 1.283814 -1.534396
H -1.962329 -0.236856 2.487836
H -4.178950 2.772414 -0.803714
H -3.829305 1.245741 3.211019
H -4.936369 2.747203 1.565363
H 1.813718 1.690346 -1.434204
H 4.078161 -0.695811 1.349691
H 3.778877 3.179904 -1.759113
H 6.042303 0.816727 1.043230
H 5.888009 2.750585 -0.514523


%chk=000227777-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227777

0 1
O 1.627049 -1.765856 0.327713
N -1.350971 -1.597807 -0.640451
C -1.046972 -0.347981 -0.116403
C -0.441831 -2.334976 -1.557264
C -2.489464 -2.394914 -0.103715
C -2.208883 0.538730 0.236133
C 0.240150 0.199318 0.023699
C -0.085161 -1.533172 -2.824084
C -2.016465 -3.471955 0.899529
C -3.321474 0.664014 -0.640954
C -2.187798 1.313895 1.425424
C 1.515504 -0.490725 0.149090
C 2.777523 0.345472 0.143559
C -4.381460 1.543872 -0.338180
C -3.251706 2.190789 1.732559
C -4.352075 2.309400 0.852131
C 2.835226 1.666655 -0.377224
C 3.968138 -0.240735 0.650648
C 4.051113 2.385106 -0.381391
C 5.181371 0.476784 0.651830
C 5.227253 1.795298 0.137505
H 0.482003 -2.622063 -1.014215
H -0.976541 -3.257762 -1.848480
H -3.198076 -1.715469 0.394928
H -3.021380 -2.869820 -0.951157
H 0.262641 1.283001 0.174308
H -0.990806 -1.253771 -3.392941
H 0.470753 -0.612712 -2.579746
H 0.558956 -2.151320 -3.475401
H -1.321662 -4.189356 0.429342
H -1.491825 -3.003824 1.750163
H -2.886192 -4.035596 1.285143
H -3.332755 0.086301 -1.572877
H -1.338892 1.211784 2.110587
H -5.224687 1.640379 -1.031222
H -3.224241 2.776402 2.658190
H -5.176364 2.991329 1.089065
H 1.938896 2.128626 -0.805381
H 3.908955 -1.266008 1.030644
H 4.083459 3.399997 -0.793836
H 6.090694 0.013223 1.051005
H 6.169997 2.354345 0.135828


