%chk=000217694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217694

0 1
O -1.273367 -0.425847 2.322732
O -2.498632 2.611354 -0.928842
N -1.651637 1.280955 0.783687
N 3.854936 0.199921 -0.301301
C -3.236616 -0.498692 0.834050
C -3.653799 0.534230 -0.273089
C -3.024501 -1.820382 0.022999
C -3.629366 -0.321877 -1.583152
C -2.414811 -1.269947 -1.309072
C -4.422728 -2.208344 -0.473494
C -4.780134 -1.322879 -1.422626
C -1.944206 0.039324 1.437751
C -2.582031 1.617805 -0.253813
C -0.409842 2.059147 1.038858
C 0.697733 1.569498 0.251264
C 3.408530 -0.975498 0.518088
C 5.049528 -0.148483 -1.142877
C 4.549373 -1.428316 1.443658
C 6.211813 -0.584950 -0.235315
C 5.809465 -1.776379 0.642295
C 2.743867 0.692926 -1.190886
C 1.627241 1.164371 -0.402792
H -4.002444 -0.624149 1.623773
H -4.651247 0.981870 -0.097937
H -2.456875 -2.592437 0.550231
H -3.608569 0.261219 -2.508307
H -1.452289 -0.758595 -1.194583
H -2.282508 -2.040945 -2.078382
H -4.957972 -3.046715 -0.076014
H -5.681437 -1.254297 -1.997359
H -0.167799 1.987468 2.132568
H -0.615049 3.136108 0.798402
H 3.061866 -1.827182 -0.104426
H 2.541404 -0.647867 1.135464
H 5.345705 0.762450 -1.707136
H 4.834971 -0.942966 -1.889379
H 4.217605 -2.294410 2.044136
H 4.778459 -0.616775 2.164100
H 6.511410 0.266326 0.409494
H 7.092103 -0.836168 -0.853508
H 6.635799 -2.041566 1.327203
H 5.629687 -2.670001 0.015882
H 3.150293 1.547976 -1.792078
H 2.388672 -0.074081 -1.923469


%chk=000217694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217694

0 1
O -1.203838 -0.277913 2.348441
O -2.663959 2.649158 -1.009303
N -1.687751 1.347566 0.704162
N 3.902230 0.193690 -0.291923
C -3.220106 -0.473363 0.873828
C -3.707003 0.502909 -0.246617
C -2.956680 -1.827213 0.081478
C -3.667087 -0.400617 -1.554774
C -2.400366 -1.268163 -1.266713
C -4.345228 -2.302148 -0.370195
C -4.769836 -1.449774 -1.348737
C -1.936738 0.152442 1.426639
C -2.676765 1.634736 -0.272383
C -0.486588 2.186141 0.910726
C 0.691189 1.705603 0.165852
C 3.383608 -1.032605 0.368351
C 5.153009 -0.073457 -1.046702
C 4.426762 -1.607318 1.346580
C 6.249852 -0.619860 -0.110354
C 5.762754 -1.890890 0.622826
C 2.887560 0.844345 -1.160949
C 1.698442 1.312616 -0.426335
H -3.937602 -0.627353 1.695354
H -4.711846 0.925044 -0.086785
H -2.337153 -2.544994 0.637075
H -3.694417 0.179221 -2.487890
H -1.465899 -0.687538 -1.165440
H -2.260040 -2.060958 -2.018683
H -4.902845 -3.121709 0.090337
H -5.743102 -1.434934 -1.845982
H -0.266306 2.189758 1.993998
H -0.754012 3.210863 0.593177
H 3.121072 -1.814495 -0.395468
H 2.455772 -0.769709 0.906988
H 5.489334 0.872439 -1.513166
H 4.978119 -0.812177 -1.875963
H 4.026121 -2.531142 1.806144
H 4.591247 -0.873218 2.158420
H 6.501429 0.161339 0.632514
H 7.162998 -0.832051 -0.699390
H 6.528298 -2.239650 1.341517
H 5.615513 -2.707447 -0.114726
H 3.368938 1.712655 -1.653043
H 2.543522 0.163370 -1.986088


