%chk=000221574.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221574

0 1
O 0.858950 -0.887834 -0.573099
O 0.335560 -2.266931 1.145001
N -3.679801 2.318862 0.521877
C 1.954133 1.174638 0.035600
C 3.204941 0.523751 0.657378
C 2.139973 1.412540 -1.475953
C 0.710162 0.293353 0.304082
C 3.182440 0.535255 2.182903
C 3.133627 2.530340 -1.776368
C -0.540237 0.923661 -0.052866
C -1.590873 1.437930 -0.349258
C 0.626314 -2.128006 -0.024909
C -2.846920 2.058436 -0.706083
C 0.805600 -3.152074 -1.066945
C -4.039808 1.044534 1.209772
C -4.913804 3.068232 0.137739
C 0.655530 -4.453790 -0.786197
C 0.820919 -5.536974 -1.789229
H 1.768724 2.159307 0.535268
H 4.107919 1.056100 0.296076
H 3.301689 -0.516710 0.287105
H 2.459373 0.468326 -1.960719
H 1.158349 1.655768 -1.931405
H 0.683875 -0.063902 1.369779
H 4.100844 0.100307 2.593519
H 3.093874 1.551650 2.582206
H 2.343602 -0.050557 2.581879
H 4.125043 2.314632 -1.360275
H 3.254275 2.669435 -2.856517
H 2.804034 3.487617 -1.356478
H -3.369288 1.430994 -1.470709
H -2.642897 3.049496 -1.188095
H 1.061238 -2.771982 -2.057674
H -3.113368 0.530725 1.521676
H -4.635939 0.342366 0.610347
H -4.597947 1.281993 2.129375
H -4.626953 4.034945 -0.306053
H -5.486021 3.295883 1.052543
H -5.580832 2.544813 -0.562094
H 0.396261 -4.786057 0.228088
H 1.618020 -6.235385 -1.489258
H 1.076397 -5.168426 -2.792943
H -0.102478 -6.129066 -1.888086


%chk=000221574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221574

0 1
O 0.794035 -0.915372 -0.649551
O 0.695831 -2.285158 1.256412
N -3.830568 2.336175 0.514813
C 1.972898 1.176341 -0.008140
C 3.239675 0.447504 0.514794
C 2.104546 1.610758 -1.493256
C 0.694702 0.319025 0.223879
C 3.250853 0.172782 2.035948
C 3.130324 2.742067 -1.723285
C -0.559374 1.006995 -0.097931
C -1.620577 1.594415 -0.321950
C 0.767071 -2.158143 0.006288
C -2.882049 2.290921 -0.629564
C 0.837460 -3.249142 -0.992150
C -4.232075 0.991890 0.977703
C -4.989980 3.195895 0.205131
C 0.834291 -4.555483 -0.605168
C 0.896514 -5.737040 -1.533996
H 1.820397 2.091831 0.605183
H 4.120174 1.067213 0.259294
H 3.359184 -0.505066 -0.038931
H 2.369679 0.725432 -2.102940
H 1.112813 1.950201 -1.850407
H 0.659294 -0.038998 1.270913
H 4.225244 -0.246454 2.347514
H 3.087378 1.104318 2.610906
H 2.474365 -0.555788 2.330027
H 4.157798 2.434472 -1.456273
H 3.143831 3.048343 -2.785510
H 2.877945 3.634718 -1.119427
H -3.339818 1.798793 -1.530889
H -2.656921 3.335346 -0.922718
H 0.885942 -2.950877 -2.044545
H -3.334588 0.414197 1.254847
H -4.797328 0.410611 0.204338
H -4.871717 1.090093 1.872306
H -4.645427 4.214839 -0.048641
H -5.639490 3.268363 1.095008
H -5.614253 2.817840 -0.645877
H 0.779930 -4.760954 0.474690
H 1.778887 -6.366504 -1.305808
H 0.948790 -5.432576 -2.592905
H 0.008811 -6.385628 -1.399132


