%chk=000297055.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297055

0 1
O 0.003829 0.124745 0.335196
O 3.209679 -0.816885 1.556746
O 0.630049 -0.527386 2.416421
N -3.148217 1.037907 -0.826972
C -2.243736 -0.668571 0.916903
C -1.313275 0.563584 0.822696
C -1.866493 1.569362 -0.237419
C -3.636476 -0.157589 1.343706
C -2.342837 -1.325842 -0.475394
C -4.142568 0.853637 0.286390
C -2.914491 -0.294635 -1.477606
C -0.857417 1.904322 -1.332734
C 0.871709 -0.403756 1.238653
C 2.200489 -0.833105 0.546282
C 2.669952 0.175144 -0.547724
C 2.910204 1.559169 0.087832
C 3.927039 -0.358753 -1.233281
C 1.998080 -2.183566 0.041543
C 3.134334 2.646197 -0.958251
C 1.849279 -3.304669 -0.372441
H -1.843061 -1.390259 1.661132
H -1.155946 1.040964 1.810975
H -2.130184 2.520137 0.298997
H -3.591544 0.306162 2.343840
H -4.335670 -1.006709 1.436033
H -2.977004 -2.225936 -0.431506
H -1.339798 -1.661156 -0.797939
H -5.099059 0.514100 -0.160166
H -4.347081 1.841978 0.744035
H -2.224867 -0.149526 -2.333692
H -3.876008 -0.644306 -1.904140
H -0.471622 1.001420 -1.824447
H -1.315749 2.535682 -2.104154
H 0.007590 2.434694 -0.916815
H 1.837743 0.252994 -1.293884
H 2.046405 1.836737 0.724527
H 3.779756 1.499325 0.775500
H 3.732990 -1.290572 -1.775521
H 4.326386 0.366701 -1.950896
H 4.717370 -0.565588 -0.497208
H 2.915906 -1.323003 2.356971
H 3.263090 3.625894 -0.483164
H 4.034110 2.454471 -1.555376
H 2.290149 2.724724 -1.652771
H 1.720365 -4.268339 -0.726973


%chk=000297055-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297055

0 1
O -0.016326 0.091070 0.230125
O 3.216994 -1.071159 1.505580
O 0.795204 -0.276677 2.387973
N -3.223661 0.863697 -0.878480
C -2.262515 -0.632534 1.022883
C -1.338514 0.583380 0.766757
C -2.007996 1.526550 -0.299143
C -3.655530 -0.078133 1.433610
C -2.408379 -1.460953 -0.283425
C -4.244582 0.710163 0.205241
C -2.892128 -0.492442 -1.422227
C -1.055897 2.054322 -1.386261
C 0.925174 -0.311090 1.137901
C 2.218324 -0.851242 0.453419
C 2.803600 0.188664 -0.567768
C 3.048158 1.549975 0.135531
C 4.084147 -0.379363 -1.217347
C 1.862994 -2.135529 -0.198779
C 3.448050 2.681848 -0.835186
C 1.572246 -3.212575 -0.721527
H -1.840631 -1.252021 1.833032
H -1.118599 1.113164 1.711797
H -2.394103 2.404018 0.256997
H -3.560834 0.576294 2.322006
H -4.311356 -0.920387 1.721556
H -3.140687 -2.271730 -0.108582
H -1.446349 -1.934438 -0.545557
H -5.112559 0.180684 -0.226655
H -4.586919 1.717102 0.505224
H -2.116701 -0.375231 -2.197857
H -3.796631 -0.881807 -1.922713
H -0.622888 1.240685 -1.990379
H -1.615963 2.731974 -2.052357
H -0.215677 2.610602 -0.933067
H 2.027668 0.325471 -1.347824
H 2.126478 1.859795 0.669967
H 3.827533 1.413066 0.908152
H 3.882412 -1.340570 -1.722315
H 4.481459 0.320514 -1.972769
H 4.859441 -0.551445 -0.450740
H 2.724617 -1.103975 2.373874
H 3.538216 3.643624 -0.297735
H 4.419904 2.482838 -1.320647
H 2.691522 2.810958 -1.633293
H 1.334686 -4.157257 -1.175086


