%chk=000198860.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198860

0 1
O -0.087774 2.181924 0.160538
N -0.862828 3.038109 0.998550
C -0.059846 0.840540 0.767952
C -1.238462 0.036005 0.260857
C 1.252344 0.247230 0.303387
C -1.804240 -0.954573 1.075555
C 1.895628 -0.707906 1.103947
C -1.760946 0.270239 -1.018305
C 1.822521 0.637011 -0.916000
C -2.886331 -1.706409 0.608631
C 3.103150 -1.269880 0.681104
C -2.844579 -0.481330 -1.479534
C 3.033572 0.075961 -1.330764
C -3.408055 -1.471156 -0.667480
C 3.674085 -0.878698 -0.534647
H -0.091415 0.955760 1.877687
H -1.405378 -1.141320 2.070516
H 1.457033 -1.016263 2.050822
H -1.315654 1.043388 -1.644303
H 1.320622 1.383673 -1.532002
H -3.323994 -2.476305 1.241542
H 3.600675 -2.013732 1.300931
H -3.248749 -0.297651 -2.473258
H 3.476841 0.382296 -2.276604
H -4.250567 -2.057440 -1.028137
H 4.615219 -1.317107 -0.860163
H -1.683263 3.254235 0.433881
H -0.287110 3.877701 1.045295


%chk=000198860-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198860

0 1
O -0.153654 2.197780 0.129517
N -1.183524 2.894858 0.962728
C 0.014597 0.817043 0.674107
C -1.200788 -0.037080 0.322245
C 1.346503 0.291518 0.136142
C -2.177076 -0.317423 1.308662
C 1.670464 -1.080266 0.298848
C -1.403100 -0.506974 -1.001476
C 2.293555 1.153671 -0.468873
C -3.333846 -1.063839 0.985218
C 2.920042 -1.579125 -0.128330
C -2.558694 -1.247472 -1.328604
C 3.541232 0.651005 -0.905374
C -3.527016 -1.531021 -0.334799
C 3.861781 -0.714657 -0.734445
H 0.069454 0.918364 1.777374
H -2.033021 0.062108 2.327206
H 0.939941 -1.759024 0.754592
H -0.649984 -0.290905 -1.767981
H 2.044018 2.210361 -0.596089
H -4.081092 -1.278018 1.757720
H 3.156961 -2.640492 0.007853
H -2.705706 -1.606874 -2.353505
H 4.263097 1.328032 -1.376660
H -4.422022 -2.110610 -0.588453
H 4.830618 -1.101885 -1.069805
H -2.034968 2.926416 0.371564
H -0.795272 3.848809 1.060616


