%chk=000218414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218414

0 1
O -2.863433 -1.713614 -0.561029
N 1.109227 0.430642 0.524605
N 3.929617 0.186704 -0.034931
N -2.611456 -0.014381 0.944981
N 5.821735 -1.248654 -0.186807
N -5.295615 0.728728 0.456777
N -6.524692 1.069878 0.332461
N -8.704046 0.755163 -0.547438
C 1.934489 1.637232 0.190095
C 1.646513 -0.760993 -0.212175
C 3.385592 1.395617 0.653954
C 3.098821 -1.029968 0.224559
C -0.335158 0.658820 0.200821
C -1.163844 -0.263271 1.124399
C 5.328715 0.039362 -0.105780
C 6.189519 1.168294 -0.205614
C 7.546974 0.957427 -0.416863
C -3.353475 -0.771412 0.049615
C 7.149318 -1.413209 -0.399803
C 8.050098 -0.345316 -0.518740
C -4.800282 -0.413066 -0.113922
C -5.635148 -1.266588 -0.871918
C -6.970779 -0.926273 -1.023623
C -7.419628 0.274874 -0.412110
H 1.521558 2.511293 0.738297
H 1.921558 1.885994 -0.893752
H 1.600488 -0.642118 -1.317342
H 1.021113 -1.644615 0.044496
H 4.005452 2.285162 0.403842
H 3.411544 1.267114 1.760553
H 3.136502 -1.317599 1.298431
H 3.508978 -1.888173 -0.358751
H -0.601923 1.719336 0.395242
H -0.591160 0.461613 -0.862924
H -0.940431 -1.334641 0.900365
H -0.893129 -0.090465 2.189759
H -3.008527 0.801948 1.406606
H 5.787927 2.174549 -0.137846
H 8.222180 1.809408 -0.503276
H 7.488637 -2.454474 -0.465870
H 9.105812 -0.525551 -0.683251
H -5.212194 -2.172456 -1.321315
H -7.648442 -1.550603 -1.598946
H -9.432597 0.162682 -0.903994
H -8.990706 1.564498 -0.014538


%chk=000218414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218414

0 1
O -2.754349 -1.873841 -0.492429
N 1.117349 0.530423 0.647667
N 3.966690 0.202999 0.355306
N -2.643428 0.020489 0.887728
N 5.652665 -1.240794 -0.428942
N -5.228418 0.606529 0.436073
N -6.527140 0.980263 0.278850
N -8.649817 0.656039 -0.618880
C 1.977031 1.680309 0.284085
C 1.680964 -0.721226 0.074746
C 3.408467 1.480211 0.826740
C 3.098446 -0.966120 0.615631
C -0.310980 0.733137 0.313703
C -1.225325 -0.125469 1.226533
C 5.286328 0.037130 -0.065728
C 6.228373 1.118303 -0.135252
C 7.527240 0.859869 -0.605794
C -3.294761 -0.854490 0.049990
C 6.917134 -1.459160 -0.877094
C 7.898322 -0.451772 -0.994924
C -4.744830 -0.517405 -0.181267
C -5.556614 -1.340588 -1.006153
C -6.893521 -0.981846 -1.185279
C -7.355800 0.199050 -0.520803
H 1.552777 2.600063 0.728377
H 2.032881 1.824718 -0.825442
H 1.713664 -0.670830 -1.042582
H 1.038132 -1.574385 0.353289
H 4.030889 2.322540 0.486725
H 3.374598 1.496900 1.937795
H 3.038089 -1.144955 1.710672
H 3.565430 -1.840949 0.138874
H -0.557713 1.801542 0.465797
H -0.538929 0.490583 -0.752362
H -0.970323 -1.193378 1.116055
H -1.059397 0.164698 2.278972
H -3.207712 0.801856 1.243199
H 5.964511 2.130839 0.179773
H 8.252143 1.680010 -0.661201
H 7.143775 -2.497257 -1.150411
H 8.901606 -0.683917 -1.362243
H -5.107847 -2.223213 -1.470081
H -7.568827 -1.576488 -1.809112
H -9.352151 0.172813 -1.170918
H -8.893922 1.505667 -0.112382


