%chk=000228657.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228657

0 1
O -1.830048 1.029213 -1.599679
N -2.287748 0.088190 0.428933
C -3.758838 0.297064 0.322822
C 4.219388 -0.664663 0.293823
C -4.491315 -1.063256 0.333238
C 2.749323 -0.363167 0.067121
C -4.227842 1.180061 1.485629
C 0.024342 0.161445 -0.342267
C -1.420352 0.469528 -0.594778
C 2.316997 0.934450 -0.249874
C 1.804521 -1.396624 0.169108
C 4.755243 0.141335 1.483376
C 5.023913 -0.385687 -0.981444
C -4.250424 -1.852032 -0.949275
C 0.962623 1.196087 -0.459886
C 0.447679 -1.137070 -0.035319
H -3.960657 0.824599 -0.652695
H 4.333615 -1.753261 0.539076
H -4.183647 -1.662250 1.211040
H -5.577516 -0.884435 0.461439
H -1.944951 -0.355187 1.272690
H -3.676165 2.128848 1.507464
H -4.091344 0.699940 2.459719
H -5.290549 1.428339 1.386132
H 3.042926 1.741191 -0.339699
H 2.127075 -2.409503 0.404005
H 4.731778 1.219890 1.291636
H 5.793846 -0.127087 1.705699
H 4.163058 -0.042492 2.387118
H 4.620961 -0.943627 -1.835059
H 6.072765 -0.676657 -0.858935
H 5.009025 0.676025 -1.252111
H -4.586112 -1.296862 -1.834721
H -3.185290 -2.067794 -1.097934
H -4.784850 -2.807832 -0.936380
H 0.628890 2.201173 -0.725117
H -0.276018 -1.948990 0.032204


%chk=000228657-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228657

0 1
O -1.770659 1.646225 -1.079403
N -2.376417 -0.040399 0.407543
C -3.829390 0.223478 0.327092
C 4.277738 -0.649782 0.329069
C -4.611344 -1.097831 0.111276
C 2.792143 -0.317537 0.172062
C -4.316190 0.986709 1.581605
C 0.006260 0.293278 -0.117171
C -1.437603 0.688140 -0.308171
C 2.366090 0.936653 -0.343278
C 1.795944 -1.261957 0.525841
C 4.979598 0.325053 1.312360
C 5.003722 -0.666699 -1.043287
C -4.270782 -1.804955 -1.216755
C 0.998991 1.235290 -0.490696
C 0.422438 -0.966228 0.384898
H -3.954701 0.874608 -0.557546
H 4.348875 -1.669411 0.759105
H -4.419065 -1.779418 0.967600
H -5.693011 -0.861466 0.143958
H -2.057606 -0.715146 1.105487
H -3.747030 1.923613 1.708769
H -4.191689 0.374830 2.496047
H -5.387648 1.242075 1.487814
H 3.111636 1.686467 -0.633836
H 2.100979 -2.244354 0.907207
H 4.952110 1.362638 0.930971
H 6.040425 0.042879 1.445932
H 4.490275 0.316390 2.302887
H 4.533165 -1.387039 -1.736237
H 6.065578 -0.948183 -0.916342
H 4.972754 0.330304 -1.520453
H -4.522191 -1.162435 -2.080541
H -3.191773 -2.035315 -1.279291
H -4.830953 -2.751992 -1.321203
H 0.664534 2.193482 -0.901873
H -0.310901 -1.743063 0.635658


