%chk=000205884.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205884

0 1
O -4.454454 1.559278 0.078409
N -0.383437 -0.418976 -0.556552
N -3.267829 -0.160844 -0.817360
C -1.017154 0.933649 -0.701103
C -1.305389 -1.352351 0.172286
C -2.345380 0.808449 -1.475084
C -2.620627 -1.483134 -0.627842
C 0.937639 -0.325671 0.147962
C 2.001270 0.174156 -0.848952
C -4.240737 0.357798 0.071260
C 3.367020 0.129198 -0.222339
C -5.041607 -0.644426 0.882415
C 3.843361 1.224902 0.514214
C 4.171839 -1.011954 -0.362907
C -6.204397 0.038094 1.593094
C 5.111459 1.178613 1.099271
C 5.439246 -1.052952 0.223949
C 5.912079 0.040957 0.955846
H -0.319135 1.579690 -1.277039
H -1.194947 1.437822 0.273578
H -1.520075 -1.030418 1.213111
H -0.812986 -2.347333 0.230265
H -2.843161 1.804254 -1.544837
H -2.158846 0.450413 -2.511915
H -2.399177 -1.896033 -1.642195
H -3.304472 -2.201347 -0.135464
H 0.914494 0.331868 1.043084
H 1.228367 -1.338064 0.506621
H 1.758945 1.200473 -1.190731
H 1.962888 -0.446687 -1.769744
H -5.425948 -1.448877 0.220909
H -4.380875 -1.136056 1.625241
H 3.226089 2.113184 0.629424
H 3.809428 -1.866056 -0.931519
H -6.764633 -0.666682 2.215084
H -6.901594 0.489698 0.873673
H -5.853377 0.859960 2.233395
H 5.477095 2.032050 1.667956
H 6.060608 -1.939668 0.109760
H 6.899307 0.007523 1.410876


%chk=000205884-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205884

0 1
O -4.882234 1.510266 -0.273460
N -0.327070 -0.356974 -0.349405
N -3.197318 -0.080802 -0.436580
C -0.956452 0.976639 -0.541121
C -1.199578 -1.222781 0.482197
C -2.334072 0.833379 -1.213776
C -2.581895 -1.396768 -0.183694
C 1.054804 -0.286817 0.185003
C 2.076020 0.270530 -0.843149
C -4.457425 0.339577 -0.013060
C 3.500502 0.160605 -0.319641
C -5.309510 -0.670781 0.777404
C 4.053728 1.174787 0.504615
C 4.291036 -0.982821 -0.604582
C -6.693705 -0.098236 1.132702
C 5.359705 1.051430 1.030583
C 5.597921 -1.111100 -0.082163
C 6.136850 -0.093755 0.739361
H -0.310133 1.594026 -1.188964
H -1.078044 1.512764 0.435007
H -1.345198 -0.801349 1.510884
H -0.719986 -2.214104 0.585364
H -2.850804 1.804582 -1.277816
H -2.197880 0.425765 -2.235591
H -2.443816 -1.928363 -1.147725
H -3.230044 -2.009554 0.460580
H 1.109958 0.321996 1.123918
H 1.363330 -1.315332 0.453206
H 1.841921 1.327881 -1.068697
H 1.954176 -0.302420 -1.780663
H -5.424188 -1.600031 0.183983
H -4.771178 -0.957324 1.703583
H 3.459595 2.070226 0.727878
H 3.880590 -1.772974 -1.246106
H -7.277801 -0.835373 1.713276
H -7.256130 0.163074 0.220753
H -6.594191 0.825838 1.725907
H 5.772068 1.847049 1.661690
H 6.196218 -1.998590 -0.318513
H 7.151129 -0.189662 1.142912


