%chk=000219758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219758

0 1
N -0.975081 0.547750 0.001771
N 3.743782 0.524756 0.017650
N -0.529341 1.859266 -0.022002
N 0.155267 -1.704287 0.049436
N 2.596777 -1.550230 0.050092
C 1.301795 0.500560 0.011503
C 0.123170 -0.329685 0.023654
C 2.561715 -0.167728 0.026302
C -2.388272 0.257134 -0.005521
C 0.816064 1.851831 -0.016051
C 5.060010 -0.173709 0.032432
C -2.836420 -1.060542 0.183498
C -3.305972 1.307704 -0.202176
C 1.407250 -2.229884 0.059887
C 6.193636 0.840870 -0.006599
C -4.209393 -1.318868 0.171270
C -4.671901 1.025706 -0.208183
C -5.128445 -0.284092 -0.022936
H 1.400530 2.757970 -0.029911
H 3.738069 1.537545 0.001025
H 5.121523 -0.813596 0.945646
H 5.111655 -0.870938 -0.838647
H -2.132804 -1.885163 0.335540
H -2.954949 2.331788 -0.345896
H 1.484378 -3.331193 0.079128
H 6.170592 1.458759 -0.913252
H 6.182726 1.514036 0.859954
H 7.165849 0.328012 0.002714
H -4.560935 -2.340512 0.315727
H -5.386266 1.834614 -0.359418
H -6.195705 -0.495473 -0.030238


%chk=000219758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219758

0 1
N -0.967868 0.535202 -0.033288
N 3.760834 0.498950 0.001521
N -0.549603 1.879584 -0.117800
N 0.140961 -1.689597 0.121219
N 2.594402 -1.538958 0.129528
C 1.298579 0.509107 -0.015691
C 0.132589 -0.320927 0.030411
C 2.564453 -0.167407 0.038028
C -2.374022 0.244736 -0.025690
C 0.805321 1.850448 -0.107369
C 5.067650 -0.186377 0.057228
C -2.829916 -1.095168 0.057003
C -3.296200 1.318326 -0.102165
C 1.399431 -2.205394 0.164827
C 6.210216 0.839414 -0.016197
C -4.218143 -1.348196 0.061958
C -4.678662 1.043506 -0.095614
C -5.149365 -0.287961 -0.013780
H 1.343557 2.795540 -0.165879
H 3.751562 1.516981 -0.062733
H 5.127425 -0.778634 0.989547
H 5.131875 -0.910873 -0.775898
H -2.102896 -1.908701 0.115304
H -2.918806 2.341188 -0.165075
H 1.469664 -3.295149 0.238114
H 6.178957 1.412297 -0.961537
H 6.168529 1.551887 0.828629
H 7.183628 0.322438 0.030048
H -4.569794 -2.383892 0.125845
H -5.390071 1.874587 -0.154992
H -6.224984 -0.494558 -0.009103


