%chk=000063218.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063218

0 1
 O   -6.219600      -1.228200      0.4779000    
 O   -2.047900      0.4636000      -1.671700    
 O    3.612800       1.651900      0.2098000    
 N  -0.3052000      0.4331000     -0.1004000    
 N   -3.505700      -1.251000     -0.3797000    
 N    2.072400     -0.1173000      0.2167000    
 C   0.6821000     -0.4437000      0.5774000    
 C   -2.067600      -1.316800     -0.1277000    
 C   2.1199999E-02   1.829700     -7.1099997E-02
 C   -1.482400     -4.6200000E-02 -0.7006000    
 C   -4.096000     -7.2999999E-02  0.2711000    
 C   -4.173900      -2.472900      8.9100003E-02
 C    1.353800       2.227100      0.1307000    
 C    2.458200       1.231700      0.1882000    
 C   0.4740000     -0.3994000       2.100600    
 C   -5.598100     -3.2499999E-02  5.1000002E-03
 C   -5.674000      -2.375700     -0.1738000    
 C    3.029700      -1.184200      1.8200001E-02
 C  -0.9597000       2.829700     -0.1838000    
 C    1.685800       3.590400      0.2030000    
 C  -0.6230000       4.183800     -0.1107000    
 C   0.6985000       4.564100      8.2199998E-02
 C    4.146000     -0.9697000     -0.7845000    
 C    2.827600      -2.416600      0.6319000    
 C    5.069000      -1.997900     -0.9755000    
 C    3.750900      -3.444600      0.4407000    
 C    4.871500      -3.235200     -0.3630000    
 H   0.4691000      -1.456000      0.2205000    
 H   -1.865900      -1.416800      0.9394000    
 H   -1.618400      -2.162600     -0.6600000    
 H   -3.927200     -0.1227000       1.355500    
 H   -3.693700      0.8807000     -7.6800004E-02
 H   -4.000700      -2.613500       1.164000    
 H   -3.776400      -3.348600     -0.4364000    
 H    1.148600      -1.082800       2.623600    
 H  -0.5484000     -0.6574000       2.386700    
 H   0.6707000      0.6012000       2.502500    
 H   -5.817400      9.8099999E-02  -1.061800    
 H   -6.049300      0.8085000      0.5414000    
 H   -6.180800      -3.258900      0.2281000    
 H   -5.894500      -2.326600      -1.247200    
 H   -2.009400       2.579300     -0.3055000    
 H    2.712800       3.916200      0.3471000    
 H   -1.398700       4.939200     -0.1975000    
 H   0.9606000       5.616200      0.1394000    
 H    4.313500     -3.8300000E-02  -1.315600    
 H    1.979800      -2.629500       1.272700    
 H    5.936300      -1.838900      -1.609600    
 H    3.598700      -4.408100      0.9186000    
 H    5.589200      -4.036400     -0.5134000    


%chk=000063218-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063218

0 1
O -5.933019 -2.503388 -0.269295
O -2.435062 1.369046 -0.587910
O 3.632260 1.397879 -0.604458
N -0.346556 1.002851 0.394899
N -3.300851 -1.282482 -0.271732
N 1.895230 0.058064 0.260533
C 0.631572 0.099457 1.055166
C -1.975323 -0.909902 0.227246
C 0.147109 2.336086 0.185955
C -1.625622 0.575594 -0.036665
C -4.425241 -0.675747 0.488428
C -3.466652 -2.755375 -0.377328
C 1.555627 2.476469 0.007697
C 2.460246 1.291772 -0.131564
C 0.872815 0.515061 2.524829
C -5.759071 -1.041777 -0.179096
C -4.817948 -3.078852 -1.036888
C 2.537288 -1.212748 0.037917
C -0.680998 3.485242 0.178818
C 2.118551 3.765620 -0.152724
C -0.099610 4.760778 0.020177
C 1.299546 4.909618 -0.140381
C 3.365138 -1.420418 -1.099114
C 2.318511 -2.292998 0.936132
C 3.945898 -2.684181 -1.326889
C 2.899842 -3.556345 0.692357
C 3.717044 -3.762200 -0.440025
H 0.223016 -0.917379 1.034146
H -1.862260 -1.113093 1.328464
H -1.230032 -1.545113 -0.291429
H -4.431982 -1.036836 1.549313
H -4.305355 0.420112 0.481361
H -3.426896 -3.251614 0.626269
H -2.649136 -3.169629 -0.998463
H 1.626197 -0.144200 2.988940
H -0.068017 0.440163 3.098490
H 1.239204 1.552505 2.591005
H -5.794390 -0.597021 -1.195878
H -6.612970 -0.680189 0.416755
H -4.999012 -4.166367 -1.056017
H -4.827739 -2.677864 -2.073059
H -1.760236 3.377430 0.283979
H 3.199978 3.831078 -0.308678
H -0.747147 5.644453 0.024092
H 1.738960 5.904650 -0.263519
H 3.560810 -0.595332 -1.785030
H 1.722841 -2.159417 1.845094
H 4.579676 -2.825955 -2.209151
H 2.720547 -4.374320 1.398875
H 4.172118 -4.740682 -0.625845


