%chk=000200891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200891

0 1
O -0.640504 0.458523 -0.198471
O 3.817754 1.573619 0.657626
O 4.679660 -1.052076 -0.188611
N -4.139694 -0.461314 -0.634829
C -5.346626 0.261501 -1.159196
C -4.571306 -1.035898 0.684220
C -6.224077 0.672594 0.043806
C -5.728755 -0.171588 1.232383
C -2.953788 0.440191 -0.500011
C -1.704458 -0.440519 -0.646758
C 0.653856 0.000971 -0.234242
C 2.921800 0.613080 0.233063
C 1.577275 0.967060 0.219791
C 3.340044 -0.668088 -0.209885
C 1.050249 -1.274433 -0.660100
C 5.157491 1.062382 0.922406
C 5.583477 0.084574 -0.169302
C 2.411192 -1.606073 -0.652731
H -5.884787 -0.461672 -1.809776
H -5.075141 1.123391 -1.793992
H -3.733468 -1.111941 1.400049
H -4.917484 -2.071336 0.477737
H -7.290985 0.491995 -0.163172
H -6.126031 1.749815 0.256798
H -5.385844 0.472694 2.058676
H -6.533639 -0.801959 1.643032
H -2.910595 0.999549 0.460416
H -2.957754 1.212078 -1.299561
H -1.514960 -0.735685 -1.691221
H -1.719831 -1.326070 0.009336
H 1.242288 1.947607 0.547606
H 0.328173 -2.008669 -0.999911
H 5.132590 0.587935 1.920373
H 5.757614 1.988760 0.945197
H 5.575740 0.547853 -1.172414
H 6.558579 -0.393911 0.029445
H 2.749643 -2.586342 -0.986479


%chk=000200891-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200891

0 1
O -0.655073 0.610322 -0.161828
O 3.971094 1.643147 0.544749
O 4.733519 -1.090830 -0.201713
N -4.188568 -0.459545 -0.684145
C -5.412624 0.210822 -1.207152
C -4.680609 -1.176931 0.531851
C -6.187144 0.736550 0.044675
C -5.814080 -0.286135 1.166964
C -3.048260 0.456571 -0.415222
C -1.733490 -0.327353 -0.514596
C 0.663156 0.121143 -0.184848
C 3.011506 0.669811 0.176552
C 1.661610 1.058529 0.166471
C 3.380390 -0.659759 -0.178895
C 1.017602 -1.211725 -0.519786
C 5.297003 1.063988 0.851858
C 5.685473 0.038096 -0.217487
C 2.379219 -1.586196 -0.517058
H -6.025364 -0.545869 -1.735361
H -5.148731 0.998713 -1.932376
H -3.848494 -1.370533 1.230760
H -5.096337 -2.154891 0.224620
H -7.275586 0.792464 -0.132298
H -5.838318 1.751043 0.310570
H -5.461066 0.230772 2.076269
H -6.680454 -0.906792 1.456535
H -3.098191 0.953865 0.580988
H -3.040663 1.254522 -1.179001
H -1.597667 -0.709939 -1.545004
H -1.732280 -1.187749 0.186701
H 1.385359 2.080384 0.438784
H 0.260092 -1.951630 -0.789543
H 5.263487 0.584165 1.849422
H 5.993083 1.918044 0.870432
H 5.683456 0.509339 -1.220246
H 6.673995 -0.404463 -0.014383
H 2.680657 -2.603351 -0.785961


