%chk=000216719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216719

2 1
O 1.675496 -1.048239 -0.450044
O 1.010463 1.072184 -0.014585
N -3.081036 -0.263023 0.487672
N 5.248888 0.189478 0.010186
C -3.975457 0.802220 1.154569
C -3.433423 -0.368079 -1.003872
C -1.625447 0.195886 0.645890
C -5.464142 0.520142 0.938272
C -4.920844 -0.657250 -1.225399
C -5.807821 0.386439 -0.545424
C -3.275542 -1.595105 1.174970
C -0.591602 -0.789221 0.095419
C 0.730418 -0.095031 -0.110212
C 3.779651 -0.098115 0.305649
C 2.975104 -0.592328 -0.905697
C 5.961410 -1.071056 -0.424864
C 5.377357 1.242308 -1.067466
C 5.895550 0.705496 1.280546
H -3.746212 0.845055 2.244274
H -3.719857 1.800781 0.725614
H -3.164232 0.595815 -1.499260
H -2.812742 -1.163083 -1.475477
H -1.503619 1.193039 0.143638
H -1.420834 0.384863 1.729865
H -5.790075 -0.381853 1.497129
H -6.054036 1.353201 1.390065
H -5.123646 -0.667593 -2.322389
H -5.189611 -1.678510 -0.885172
H -5.721207 1.367595 -1.057231
H -6.879282 0.105497 -0.661312
H -4.348728 -1.886572 1.186556
H -2.736829 -2.413093 0.666150
H -2.945486 -1.567865 2.229663
H -0.906716 -1.242510 -0.876815
H -0.449817 -1.665776 0.774315
H 3.704966 -0.854785 1.127031
H 3.291351 0.831480 0.705891
H 2.833467 0.190729 -1.675713
H 3.376495 -1.523488 -1.359317
H 5.578778 -1.462391 -1.385620
H 7.048966 -0.898057 -0.569275
H 5.868850 -1.880960 0.325218
H 5.025150 0.883724 -2.052156
H 6.432944 1.556363 -1.210174
H 4.806009 2.159420 -0.821465
H 6.972803 0.927996 1.132248
H 5.837244 -0.029324 2.106769
H 5.426480 1.644096 1.635137


%chk=000216719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216719

2 1
O 1.718925 -1.060665 -0.529751
O 0.946153 1.127937 -0.268157
N -3.124936 -0.245166 0.423116
N 5.338070 0.152516 0.076155
C -3.982472 0.937452 0.976584
C -3.628800 -0.606896 -1.001750
C -1.668795 0.261921 0.364419
C -5.494067 0.672407 0.921903
C -5.140783 -0.883232 -1.054657
C -5.958719 0.305432 -0.504427
C -3.230002 -1.445444 1.357186
C -0.619412 -0.785936 -0.055242
C 0.725137 -0.100404 -0.277667
C 3.874713 -0.278240 0.325042
C 3.048108 -0.539614 -0.952132
C 6.125565 -0.950820 -0.637448
C 5.398676 1.444350 -0.746313
C 5.983552 0.409678 1.445463
H -3.629928 1.121048 2.006621
H -3.721401 1.809674 0.350462
H -3.373475 0.260619 -1.637262
H -3.049238 -1.482697 -1.338496
H -1.655072 1.112420 -0.337434
H -1.435151 0.656630 1.368476
H -5.790433 -0.109613 1.645468
H -5.991155 1.599396 1.262002
H -5.394139 -1.068216 -2.114659
H -5.392643 -1.816244 -0.516615
H -5.843350 1.181042 -1.173191
H -7.032181 0.052915 -0.497704
H -4.285008 -1.709697 1.501139
H -2.703162 -2.303952 0.915164
H -2.783555 -1.182429 2.328958
H -0.881640 -1.291722 -1.003142
H -0.479700 -1.581432 0.697703
H 3.913451 -1.195525 0.937127
H 3.404628 0.528302 0.912609
H 2.899885 0.377879 -1.546405
H 3.458912 -1.349003 -1.573544
H 5.725754 -1.100962 -1.650525
H 7.179713 -0.642563 -0.707087
H 6.049143 -1.882434 -0.056210
H 5.047681 1.251087 -1.770322
H 6.442589 1.791165 -0.780584
H 4.767311 2.207397 -0.266201
H 7.033166 0.703963 1.295318
H 5.938081 -0.511789 2.045549
H 5.439601 1.219963 1.954259


