%chk=000240997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240997

0 1
O 0.847388 -0.514367 -1.189898
O -3.827396 1.372424 0.960098
N 3.036215 -0.651702 -0.511616
N -3.094223 -0.574092 -0.001959
C 1.495254 0.801461 0.775194
C -1.454141 0.992042 1.119830
C 0.709681 2.037767 0.301207
C 0.768200 0.107112 1.943156
C -0.744223 1.703962 -0.047803
C -0.678427 -0.250456 1.584020
C 1.682255 -0.193137 -0.369825
C -2.881799 0.667217 0.674017
C 3.409161 -1.994306 -1.025144
C 3.732547 -1.591378 0.404579
C -3.907208 -0.726254 -1.235805
C -2.414547 -1.011827 -1.248356
H 2.500893 1.145092 1.131579
H -1.537464 1.705615 1.980793
H 1.209776 2.486878 -0.579775
H 0.740605 2.807935 1.097411
H 0.781678 0.784135 2.821337
H 1.315657 -0.801438 2.255183
H -1.289042 2.629210 -0.315825
H -0.757569 1.051014 -0.951706
H -0.679487 -1.023066 0.786422
H -1.189023 -0.709906 2.451898
H 4.192836 -2.007450 -1.790220
H 2.632735 -2.736247 -1.232824
H 3.200480 -2.051856 1.239356
H 4.754099 -1.308964 0.682834
H -4.311691 0.156570 -1.737469
H -4.630564 -1.548343 -1.227130
H -2.046696 -2.043574 -1.251897
H -1.706659 -0.344973 -1.757463


%chk=000240997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240997

0 1
O 0.856669 -0.907703 -1.031650
O -3.769066 1.860539 0.594261
N 3.110023 -0.645465 -0.536655
N -3.320033 -0.328924 -0.048629
C 1.482338 0.538772 0.892956
C -1.506436 1.013238 1.026547
C 0.829791 1.867539 0.400206
C 0.577664 -0.113742 1.982004
C -0.627953 1.686454 -0.075244
C -0.881329 -0.316726 1.514226
C 1.753112 -0.416231 -0.277218
C -2.945474 0.901084 0.503605
C 3.772163 -1.850868 -1.054361
C 4.213822 -1.203975 0.276060
C -4.209321 -0.590261 -1.191925
C -2.775629 -1.153534 -1.154779
H 2.460784 0.786495 1.347411
H -1.561520 1.720195 1.879974
H 1.439989 2.309261 -0.410561
H 0.852169 2.581778 1.249149
H 0.593975 0.556440 2.866319
H 1.004501 -1.082666 2.309021
H -1.062372 2.670347 -0.332669
H -0.632458 1.062918 -0.987412
H -0.893086 -1.060085 0.700481
H -1.485242 -0.727147 2.345693
H 4.395742 -1.719781 -1.944525
H 3.206370 -2.789328 -1.012768
H 3.954900 -1.729697 1.203840
H 5.141405 -0.622521 0.310468
H -4.422370 0.253727 -1.859226
H -5.053689 -1.262596 -1.007260
H -2.621933 -2.215664 -0.934640
H -2.018202 -0.706774 -1.808501


