%chk=000221302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221302

0 1
O -2.149313 1.828627 -0.902565
N -2.622702 -0.170280 0.068870
C 3.980637 -0.282098 -0.080122
C 2.488901 -0.012064 -0.150400
C -0.266037 0.476471 -0.311430
C -4.085980 0.094666 -0.014421
C -2.200126 -1.486617 0.606975
C -1.729553 0.786907 -0.418807
C 1.781039 -0.322779 -1.321596
C 1.803656 0.551567 0.938087
C 4.294389 -1.283295 1.038601
C 4.752175 1.029722 0.108326
C 0.408326 -0.076628 -1.405354
C 0.432286 0.797937 0.859385
C -4.650113 0.544673 1.332362
C -2.106498 -2.546862 -0.490995
H 4.313040 -0.737845 -1.049742
H -4.257797 0.892062 -0.780760
H -4.603028 -0.821465 -0.371694
H -1.216473 -1.381879 1.119771
H -2.928210 -1.805348 1.386959
H 2.301013 -0.751556 -2.176678
H 2.346365 0.804563 1.847414
H 4.051338 -0.881231 2.028274
H 5.358104 -1.545255 1.045979
H 3.724005 -2.210550 0.912885
H 4.503157 1.752259 -0.678181
H 5.833825 0.861038 0.074768
H 4.524841 1.505378 1.068742
H -0.133470 -0.303870 -2.323469
H -0.093147 1.247369 1.701837
H -4.516900 -0.211126 2.112942
H -4.158031 1.463580 1.679329
H -5.721849 0.759605 1.253645
H -3.053835 -2.662185 -1.030256
H -1.341943 -2.289051 -1.234674
H -1.841790 -3.524040 -0.072209


%chk=000221302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221302

0 1
O -2.151575 1.342045 -1.438819
N -2.638003 -0.351033 0.081773
C 4.113022 -0.026771 -0.030766
C 2.590874 0.056669 -0.169843
C -0.257228 0.224591 -0.443664
C -4.079233 -0.000205 -0.024445
C -2.303881 -1.637429 0.739355
C -1.739884 0.433901 -0.640763
C 1.975950 0.057729 -1.447993
C 1.751444 0.157931 0.971109
C 4.549175 -1.287573 0.762611
C 4.694860 1.259976 0.614507
C 0.575242 0.155571 -1.587057
C 0.349954 0.235381 0.839695
C -4.479825 1.096631 0.983936
C -2.600104 -2.862838 -0.155834
H 4.536955 -0.110479 -1.051940
H -4.273726 0.354612 -1.051687
H -4.669645 -0.918597 0.144952
H -1.237544 -1.639847 1.010020
H -2.882658 -1.705429 1.681015
H 2.604718 -0.005239 -2.344776
H 2.195332 0.185119 1.973578
H 4.171656 -1.254120 1.801721
H 5.652091 -1.355057 0.807315
H 4.163751 -2.209873 0.291907
H 4.418303 2.158046 0.033719
H 5.798201 1.204187 0.665464
H 4.315121 1.393991 1.644570
H 0.114255 0.197788 -2.579583
H -0.274847 0.342769 1.734604
H -4.284966 0.777966 2.024363
H -3.908399 2.018956 0.784506
H -5.556485 1.330795 0.890199
H -3.660146 -2.896335 -0.465370
H -1.977073 -2.835994 -1.067301
H -2.375378 -3.797437 0.390720


