%chk=000213227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213227

0 1
O 3.482250 -0.304771 -1.569283
O 2.776358 1.173684 1.522851
O 5.901676 0.828182 0.291478
O 5.041123 -2.790818 0.646200
N 1.365390 0.164006 -0.694654
N -0.394500 -1.317090 -0.763103
N 0.180233 2.107380 0.353504
N -2.168555 1.623056 0.813945
N -3.218455 -0.446852 0.160185
N -5.454310 -1.026142 0.320736
C 3.495535 1.215835 0.304608
C 2.705863 0.732753 -0.956735
C 4.640882 0.184358 0.493478
C 4.497340 -0.822041 -0.662626
C 4.040823 -2.212495 -0.192975
C 0.263192 0.828266 -0.147813
C 0.896244 -1.145215 -1.057204
C -0.834108 -0.109145 -0.197010
C -2.098777 0.342979 0.298541
C -1.059671 2.426610 0.809003
C -4.332679 -0.430293 0.892474
C -4.484202 0.141346 2.269152
C -5.330500 -1.698196 -0.997807
C -6.542578 -1.535741 1.187619
H 3.888551 2.242992 0.132511
H 2.617758 1.522029 -1.746569
H 4.601281 -0.290185 1.501055
H 5.416511 -0.857747 -1.291314
H 3.823077 -2.873397 -1.050422
H 3.151179 -2.163221 0.469169
H 2.047952 1.853394 1.526680
H 6.224095 1.216458 1.133423
H 1.554946 -1.859621 -1.532680
H 5.847724 -3.001024 0.129951
H -1.192688 3.439756 1.223294
H -3.618542 0.773899 2.544932
H -5.359351 0.802994 2.350941
H -4.564941 -0.640853 3.035374
H -4.762354 -1.049636 -1.696454
H -6.325047 -1.877792 -1.430022
H -4.775496 -2.650342 -0.929534
H -6.943054 -0.725128 1.821271
H -6.213182 -2.364328 1.837310
H -7.380195 -1.902504 0.569121


%chk=000213227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213227

0 1
O 3.572054 -0.712737 -1.638319
O 2.906853 2.569514 0.034319
O 4.984289 0.710375 1.410685
O 5.000349 -2.431051 1.422557
N 1.353327 0.128826 -1.256587
N -0.566050 -1.122773 -1.533372
N 0.536685 1.666817 0.530820
N -1.772837 1.224372 1.188091
N -3.100630 -0.451657 0.086688
N -5.293250 -1.053221 0.513005
C 3.504891 1.389078 -0.509319
C 2.764821 0.515636 -1.572565
C 3.892325 0.305960 0.531204
C 4.345504 -0.870380 -0.347346
C 4.102329 -2.249624 0.274276
C 0.409124 0.637628 -0.359039
C 0.699348 -0.926872 -1.932349
C -0.771843 -0.143191 -0.542224
C -1.908551 0.179316 0.270052
C -0.594922 1.893835 1.264603
C -4.050061 -0.687033 0.985195
C -3.833514 -0.662279 2.491802
C -5.538768 -1.158197 -0.938751
C -6.427303 -1.407249 1.380014
H 4.437085 1.720533 -1.006977
H 2.780795 0.961035 -2.580312
H 2.998190 0.038290 1.136103
H 5.418821 -0.750963 -0.586012
H 4.350385 -3.053702 -0.437382
H 3.037014 -2.350811 0.573362
H 1.938917 2.351063 0.371798
H 4.769377 1.613126 1.765296
H 1.220890 -1.519291 -2.679820
H 5.101919 -1.566075 1.903667
H -0.541479 2.709743 1.991587
H -2.775163 -0.465409 2.707400
H -4.411202 0.154241 2.961375
H -4.131778 -1.618049 2.958352
H -4.566852 -1.174484 -1.454313
H -6.123766 -0.292270 -1.303505
H -6.101103 -2.085225 -1.152590
H -6.278334 -1.046943 2.407252
H -6.583163 -2.504325 1.408243
H -7.347924 -0.940176 0.985638


