%chk=000224109.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224109

0 1
O 1.195242 -2.687912 0.224458
N -2.908741 1.007055 0.275716
C 1.285322 0.862892 0.009652
C 0.527576 -0.343121 0.115134
C 2.716947 0.518604 -0.026680
C 2.845898 -0.905106 0.055174
C -1.514373 0.917305 0.123283
C 1.482242 -1.521622 0.146627
C -0.843638 -0.344224 0.171897
C -3.767228 -0.183766 0.024487
C -5.248315 0.215133 0.093931
C 0.633239 2.084358 -0.039385
C -0.768285 2.110880 0.010566
C -6.151688 -1.009480 -0.107245
C 3.842593 1.318561 -0.120072
C 4.086206 -1.511470 0.043472
C 5.106993 0.692628 -0.131658
C 5.230902 -0.691759 -0.051900
C -7.629012 -0.630841 -0.046116
H -1.393961 -1.278118 0.263089
H -3.536775 -0.650226 -0.960270
H -3.539795 -0.945302 0.807460
H -5.481738 0.981184 -0.670722
H -5.468343 0.686759 1.073476
H 1.192163 3.015500 -0.118820
H -3.332524 1.894824 0.010538
H -1.278123 3.070261 -0.026505
H -5.930538 -1.773152 0.665265
H -5.929346 -1.489568 -1.080989
H 3.764293 2.400052 -0.182495
H 4.180164 -2.596000 0.106445
H 6.001177 1.312745 -0.204611
H 6.216501 -1.153113 -0.062291
H -7.896279 0.092978 -0.824536
H -8.268060 -1.510887 -0.185893
H -7.894396 -0.186353 0.920318


%chk=000224109-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224109

0 1
O 1.204885 -2.718020 0.003200
N -2.922905 0.973974 0.011908
C 1.322903 0.888239 0.001890
C 0.561835 -0.317127 0.004146
C 2.764457 0.538262 -0.001337
C 2.885966 -0.887560 -0.001306
C -1.533319 0.921091 0.009166
C 1.508712 -1.491937 0.002127
C -0.836127 -0.331537 0.007684
C -3.793023 -0.207911 0.015765
C -5.278899 0.200353 0.019110
C 0.642965 2.121631 0.003210
C -0.769195 2.132748 0.006778
C -6.222103 -1.024407 0.018847
C 3.923505 1.336050 -0.004306
C 4.135707 -1.523894 -0.004085
C 5.192055 0.694592 -0.007128
C 5.304100 -0.717209 -0.007020
C -7.713286 -0.626628 0.026499
H -1.369469 -1.286590 0.009155
H -3.586745 -0.838094 -0.876243
H -3.582186 -0.835791 0.908372
H -5.492056 0.826481 -0.871838
H -5.488919 0.823836 0.912638
H 1.188027 3.072303 0.001592
H -3.371133 1.889908 0.014414
H -1.301019 3.092918 0.007758
H -6.001062 -1.654784 0.903486
H -6.008406 -1.648503 -0.872007
H 3.862022 2.429942 -0.004506
H 4.197078 -2.617433 -0.003916
H 6.102390 1.305365 -0.009473
H 6.294800 -1.184010 -0.009237
H -7.967917 -0.020297 -0.863077
H -8.366482 -1.517884 0.025033
H -7.960855 -0.028379 0.923501


