%chk=000227587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227587

0 1
O -2.776526 -1.351494 1.166028
O 0.972010 2.601940 -0.127635
N 1.626205 -1.397324 0.073285
N 2.393242 0.872730 0.368969
N -3.398634 0.818292 1.157087
N 3.892326 -0.946032 0.736886
C -2.323159 -0.104116 -0.885135
C -1.846721 -1.445891 -1.472129
C -1.186800 0.930457 -0.969205
C -0.640844 -2.006483 -0.702566
C 0.120177 0.396661 -0.470187
C 0.366188 -0.940489 -0.387068
C -2.808317 -0.295110 0.554095
C 1.141867 1.403297 -0.091454
C 2.611681 -0.425845 0.412652
H -3.190958 0.259986 -1.492883
H -1.585509 -1.303493 -2.538817
H -2.672411 -2.185712 -1.440283
H -1.439999 1.863625 -0.420943
H -1.057498 1.250924 -2.027969
H -0.192778 -2.845551 -1.268744
H -1.016249 -2.438675 0.263996
H 1.840962 -2.391149 0.070847
H -3.666830 0.759576 2.129718
H -3.306183 1.749109 0.789657
H 4.580073 -0.219890 0.954201
H 3.911884 -1.688143 1.426997


%chk=000227587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227587

0 1
O -3.224271 -1.453697 0.971684
O 0.851969 2.677895 -0.183001
N 1.574803 -1.323025 0.136981
N 2.325649 0.943299 0.395336
N -2.933253 0.813305 1.314100
N 3.728926 -0.827094 0.999936
C -2.361545 -0.129107 -0.926307
C -1.881910 -1.485731 -1.502104
C -1.235317 0.920608 -1.094702
C -0.648141 -2.022026 -0.735458
C 0.082169 0.424938 -0.538027
C 0.335191 -0.921200 -0.396004
C -2.856990 -0.320572 0.528660
C 1.091215 1.430319 -0.109947
C 2.524346 -0.364639 0.501835
H -3.246873 0.203181 -1.507481
H -1.630823 -1.340261 -2.569827
H -2.692368 -2.230155 -1.435474
H -1.457606 1.901380 -0.634561
H -1.120644 1.148023 -2.173956
H -0.146507 -2.809357 -1.334183
H -0.997321 -2.497944 0.202759
H 1.755000 -2.320869 0.261647
H -3.282548 0.713916 2.267154
H -2.574687 1.716711 1.010255
H 4.405007 -0.115424 1.266927
H 3.963730 -1.811274 1.093157


