%chk=000229872.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229872

0 1
O 0.006371 0.640235 -1.658994
N -1.793429 1.030358 0.404351
C -0.340781 0.820986 0.689572
C 0.325814 -0.063464 -0.438464
C -0.152328 0.118502 2.041575
C 0.303590 2.216254 0.712168
C -2.645599 -0.197348 0.456554
C 1.818076 -0.239884 -0.295008
C -4.012555 0.096104 -0.182895
C -4.954169 -1.108178 -0.053272
C 2.703245 0.684023 -0.868585
C 2.326004 -1.342462 0.407942
C -6.313741 -0.829159 -0.690171
C 4.083103 0.507314 -0.739943
C 3.706960 -1.513898 0.537560
C 4.587493 -0.591158 -0.036375
H -0.184397 -1.053811 -0.492981
H -1.889766 1.485024 -0.516081
H -0.720412 0.644832 2.821548
H 0.900229 0.120896 2.347403
H -0.495503 -0.919131 2.034710
H -0.247553 2.889148 1.381083
H 0.301325 2.668108 -0.288528
H 1.341566 2.174765 1.056095
H -2.780977 -0.463518 1.528630
H -2.176054 -1.074443 -0.040054
H -3.888058 0.365717 -1.249247
H -4.465140 0.986020 0.299817
H -5.089831 -1.366496 1.015584
H -4.496727 -1.999106 -0.526185
H 0.412799 0.187784 -2.423868
H 2.303989 1.542937 -1.410821
H 1.647995 -2.066000 0.856680
H -6.982569 -1.691227 -0.590888
H -6.810577 0.027624 -0.220115
H -6.221156 -0.606069 -1.759212
H 4.766171 1.227949 -1.186687
H 4.097687 -2.369404 1.085950
H 5.662304 -0.727525 0.064553


%chk=000229872-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229872

0 1
O 0.063792 0.509309 -1.745497
N -1.790315 0.948955 0.277314
C -0.346423 0.819180 0.629403
C 0.397727 -0.093690 -0.435209
C -0.196739 0.196408 2.035407
C 0.238832 2.250213 0.628610
C -2.636355 -0.265795 0.265938
C 1.901985 -0.251862 -0.263183
C -4.087691 0.099971 -0.107605
C -5.028431 -1.125558 -0.145753
C 2.809609 0.683042 -0.830006
C 2.427550 -1.358889 0.452960
C -6.478997 -0.753166 -0.521456
C 4.203079 0.521477 -0.668842
C 3.820881 -1.518445 0.620769
C 4.715778 -0.577440 0.060062
H -0.067676 -1.102633 -0.368947
H -1.864507 1.434399 -0.629321
H -0.816771 0.767079 2.748751
H 0.854247 0.235793 2.368557
H -0.521976 -0.860187 2.065998
H -0.333695 2.870271 1.339633
H 0.161722 2.704572 -0.375593
H 1.299941 2.251056 0.930101
H -2.627926 -0.716454 1.276679
H -2.277185 -1.051694 -0.445783
H -4.095846 0.595491 -1.101840
H -4.463442 0.846274 0.619340
H -5.018628 -1.624381 0.845041
H -4.636757 -1.867321 -0.871879
H 0.536472 0.004292 -2.453957
H 2.413311 1.533173 -1.395726
H 1.740696 -2.101474 0.878720
H -7.134624 -1.643220 -0.541804
H -6.904121 -0.035502 0.205247
H -6.519586 -0.280120 -1.520966
H 4.890064 1.251497 -1.112390
H 4.208047 -2.379349 1.177593
H 5.797354 -0.702971 0.183037


