%chk=000102198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102198

0 1
 O    1.918300     -0.7864000      0.6448000    
 O    1.195700       2.577600     -0.3433000    
 O    3.822000       1.389500      -1.480500    
 O    4.282500      -2.277400      0.9772000    
 N  -0.3066000     -0.2850000      1.2100000E-02
 N   -1.748200      -1.669400     -0.9777000    
 N   -1.863300       1.277400       1.030400    
 N   -4.176300      0.6691000      0.5444000    
 N   -4.752000      -1.242400     -0.7754000    
 C    1.587500       1.236300     -0.5779000    
 C   0.9722000      0.2804000      0.4378000    
 C    3.068100       1.030900     -0.3381000    
 C    3.127600     -0.4632000     -6.3100003E-02
 C    4.327700     -0.8750000      0.7706000    
 C   -1.552900      0.1950000      0.3014000    
 C  -0.4770000      -1.405100     -0.7588000    
 C   -2.431900     -0.6772000     -0.3207000    
 C   -3.789700     -0.4092000     -0.1792000    
 C   -3.203500       1.434000       1.096100    
 H    1.316600      0.9827000      -1.610300    
 H   0.8024000      0.7635000       1.407600    
 H    3.415600       1.629600      0.5117000    
 H    3.117800      -1.045000     -0.9938000    
 H    4.304300     -0.3942000       1.754100    
 H    5.264400     -0.6219000      0.2648000    
 H   0.2277000       2.617800     -0.4258000    
 H    3.519000      0.8499000      -2.230300    
 H   0.3537000      -1.985100      -1.137400    
 H    5.059600      -2.513200       1.512200    
 H   -3.549000       2.288500       1.668200    
 H   -4.466100      -2.047500      -1.315900    
 H   -5.732600      -1.026500     -0.6582000    


%chk=000102198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102198

0 1
O 2.046447 -1.013055 0.667195
O 0.917817 2.471843 0.449111
O 3.647048 1.851618 -1.093641
O 4.707363 -2.260545 -0.101110
N -0.295782 -0.594189 0.354543
N -1.930438 -2.133543 -0.119402
N -1.641225 1.495559 0.159199
N -3.979308 1.031798 -0.416722
N -4.815280 -1.152499 -0.743821
C 1.399297 1.225215 -0.075103
C 0.992863 -0.007956 0.790486
C 2.937053 1.113035 -0.061447
C 3.157828 -0.421728 -0.153685
C 4.498878 -0.888412 0.380164
C -1.463065 0.136105 0.126708
C -0.634000 -1.950163 0.201925
C -2.460976 -0.830751 -0.165211
C -3.766487 -0.330081 -0.446277
C -2.932071 1.853529 -0.123582
H 1.040749 1.042860 -1.118436
H 0.900734 0.300072 1.850974
H 3.323647 1.516772 0.890714
H 3.046193 -0.765714 -1.202841
H 4.488610 -0.837415 1.488782
H 5.280162 -0.204264 -0.015233
H -0.101281 2.415297 0.395927
H 3.165965 1.765550 -1.956265
H 0.111017 -2.731227 0.323942
H 5.547344 -2.620661 0.278403
H -3.150827 2.924821 -0.113790
H -4.677116 -2.160921 -0.770121
H -5.727558 -0.742452 -0.934386


