%chk=000247855.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247855

0 1
O 5.827597 0.295360 -0.066842
N -4.130140 -0.883595 -0.635482
C 0.177803 -0.495613 -0.384231
C -0.689966 0.634380 0.226320
C -2.149463 0.547720 -0.279069
C 1.634580 -0.456811 0.195052
C -2.778592 -0.846706 0.021476
C -0.466209 -1.881529 -0.192296
C -1.916317 -1.929443 -0.678469
C -0.077935 1.998555 -0.158966
C 2.188161 0.963707 0.132220
C -3.047827 1.663805 0.285080
C 2.509440 -1.403470 -0.674161
C 1.408761 2.043594 -0.010821
C 1.664949 -0.899055 1.670355
C -2.877375 -1.144565 1.533153
C -4.440530 1.576379 -0.352444
C 3.672101 1.123758 0.320193
C 4.005069 -1.298692 -0.371974
C -5.062942 0.184320 -0.159539
C 4.472436 0.151077 -0.552192
H 0.249759 -0.300865 -1.483699
H -0.679989 0.537879 1.337233
H -2.134840 0.657052 -1.395375
H -0.425186 -2.174778 0.876346
H 0.124704 -2.644358 -0.735500
H -1.960504 -1.776100 -1.775419
H -2.337624 -2.935035 -0.501422
H -0.536271 2.797190 0.459453
H -0.335757 2.247820 -1.211074
H -2.608813 2.657393 0.079304
H -3.118577 1.585197 1.385491
H 2.335064 -1.176290 -1.744504
H 2.177573 -2.448979 -0.527076
H -4.567821 -1.799247 -0.485896
H 1.830449 3.048207 -0.038835
H 2.685517 -0.886555 2.069003
H 1.061787 -0.228034 2.292714
H 1.275166 -1.913937 1.798539
H -1.888581 -1.123796 2.005037
H -3.494939 -0.403411 2.050314
H -3.307273 -2.131148 1.723266
H -5.108573 2.345797 0.074568
H -4.365100 1.794964 -1.436876
H 4.006710 2.159891 0.110817
H 3.934072 0.954662 1.388530
H 4.217643 -1.630036 0.664105
H 4.575937 -1.978900 -1.028643
H -5.360646 0.051347 0.903392
H -5.989907 0.101182 -0.769126
H 4.460680 0.454709 -1.621288
H 6.431739 -0.300298 -0.540843


%chk=000247855-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247855

0 1
O 5.946188 0.364381 -0.211363
N -4.154931 -0.851514 -0.633758
C 0.178413 -0.513397 -0.301317
C -0.699666 0.643735 0.270919
C -2.165896 0.546398 -0.245206
C 1.658665 -0.482712 0.244279
C -2.823428 -0.841512 0.049560
C -0.492411 -1.902371 -0.122414
C -1.949906 -1.926296 -0.628863
C -0.076775 2.007184 -0.122808
C 2.222388 0.950596 0.186783
C -3.086604 1.703957 0.220839
C 2.544160 -1.391271 -0.679698
C 1.429652 2.039685 0.001234
C 1.740997 -0.996292 1.716248
C -2.962997 -1.140629 1.573849
C -4.481328 1.590197 -0.442070
C 3.728393 1.110133 0.365407
C 4.062429 -1.270825 -0.413335
C -5.105351 0.199569 -0.203145
C 4.525176 0.188556 -0.572792
H 0.248513 -0.323971 -1.397884
H -0.700356 0.580094 1.379704
H -2.120400 0.606651 -1.356469
H -0.475015 -2.199284 0.942880
H 0.086907 -2.670881 -0.668752
H -1.981494 -1.746922 -1.721968
H -2.391816 -2.929815 -0.451599
H -0.503985 2.816005 0.503077
H -0.367538 2.256530 -1.168404
H -2.639987 2.679907 -0.044173
H -3.186990 1.693321 1.325874
H 2.343146 -1.115068 -1.735977
H 2.238999 -2.448113 -0.561388
H -4.575805 -1.791820 -0.603884
H 1.902770 3.031968 -0.054356
H 2.728157 -0.784949 2.161857
H 0.984189 -0.499887 2.349582
H 1.581276 -2.088440 1.775977
H -1.999445 -1.089547 2.110359
H -3.651028 -0.433520 2.069676
H -3.368940 -2.160918 1.716207
H -5.161261 2.373951 -0.054994
H -4.374649 1.745665 -1.533486
H 4.028336 2.159659 0.195647
H 4.036717 0.854797 1.400213
H 4.313716 -1.610115 0.610164
H 4.614905 -1.927993 -1.116673
H -5.403880 0.120146 0.872177
H -6.029559 0.093666 -0.802203
H 4.362955 0.504842 -1.628476
H 6.494392 -0.238832 -0.775156


