%chk=000112222.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112222

0 1
 O   -2.682900       3.668700       1.287900    
 O   -2.467500      -4.157900       1.493400    
 O   -1.125000      -4.310900     -0.3473000    
 N   -1.448800     -0.1364000     -0.8762000    
 N   -1.182600       2.025700     -0.4431000    
 C  -0.7306000      0.7933000     -0.2635000    
 C   -2.558200      0.4993000      -1.601200    
 C   -2.370000       1.992400      -1.308100    
 C   0.4531000      0.4832000      0.5537000    
 C    1.721000      0.4178000     -0.2942000    
 C   -1.239600      -1.578400     -0.8695000    
 C  -0.6425000       3.265000      0.1006000    
 C    2.957200      4.1299999E-02  0.5276000    
 C   -1.953900      -2.181100      0.3266000    
 C    4.214900      1.3900000E-02 -0.3435000    
 C   -1.278400       3.522800       1.451700    
 C    5.454800     -0.3317000      0.4807000    
 C   -1.832600      -3.699800      0.4993000    
 C    6.711500     -0.3272000     -0.3750000    
 H   -3.514000      0.1296000      -1.218100    
 H   -2.476100      0.2834000      -2.670600    
 H   -3.240400       2.407000     -0.7945000    
 H   -2.175800       2.559500      -2.223600    
 H   0.3177000     -0.4691000       1.077200    
 H   0.5849000       1.222300       1.350600    
 H    1.884100       1.390000     -0.7756000    
 H    1.591000     -0.3066000      -1.106800    
 H   -1.633300      -1.996900      -1.803100    
 H  -0.1695000      -1.805200     -0.8497000    
 H   0.4469000       3.205200      0.1774000    
 H  -0.8824000       4.076800     -0.5952000    
 H    2.806100     -0.9420000      0.9890000    
 H    3.088600      0.7651000       1.341100    
 H    4.352500      0.9928000     -0.8189000    
 H    4.090100     -0.7213000      -1.147800    
 H   -3.023800      -1.944600      0.2619000    
 H   -1.593700      -1.716800       1.252300    
 H   -1.099100       2.695500       2.144600    
 H  -0.8820000       4.444500       1.888300    
 H    5.574000      0.3914000       1.296000    
 H    5.333400      -1.320100      0.9388000    
 H    6.879600      0.6586000     -0.8203000    
 H    6.638200      -1.061800      -1.183200    
 H    7.585600     -0.5782000      0.2341000    
 H   -3.057000       3.836100       2.169600    


%chk=000112222-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112222

0 1
O -3.178143 2.398400 1.714082
O -3.332041 -0.107794 1.076051
O -1.369292 -0.910047 2.048958
N -1.167223 -0.031157 -1.148225
N -1.164294 2.079620 -0.374616
C -0.549468 0.875407 -0.338012
C -2.399436 0.566303 -1.759578
C -2.376879 2.036935 -1.252907
C 0.708586 0.587148 0.433432
C 1.933214 0.334675 -0.492263
C -1.092252 -1.500142 -0.941558
C -1.054298 3.138901 0.654627
C 3.211308 0.045945 0.326200
C -2.210625 -1.992270 0.034425
C 4.438086 -0.254763 -0.563824
C -1.792620 2.716715 1.965073
C 5.722653 -0.537884 0.248720
C -2.328937 -0.952246 1.186051
C 6.940120 -0.856665 -0.645379
H -3.285347 0.037075 -1.373432
H -2.346319 0.489332 -2.858989
H -3.255621 2.288599 -0.636692
H -2.260274 2.768684 -2.071827
H 0.510192 -0.277245 1.095899
H 0.925723 1.436116 1.102484
H 2.098745 1.215392 -1.144944
H 1.727744 -0.520074 -1.166777
H -1.170634 -1.998905 -1.924517
H -0.103032 -1.734471 -0.517897
H 0.007267 3.375483 0.854463
H -1.529700 4.042950 0.236612
H 3.026447 -0.813445 1.002789
H 3.435233 0.913669 0.980679
H 4.619671 0.601359 -1.246976
H 4.217343 -1.128595 -1.211989
H -1.904594 -2.976726 0.430727
H -3.178284 -2.099883 -0.483763
H -1.261279 1.856756 2.426586
H -1.745535 3.578087 2.660989
H 5.950352 0.339335 0.887916
H 5.537262 -1.385528 0.939303
H 7.163630 -0.014769 -1.327718
H 6.751399 -1.751538 -1.268010
H 7.845270 -1.050841 -0.041479
H -3.288617 1.367303 1.598708


