%chk=000005920.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005920

0 1
 I   0.3791000     -0.6950000      -3.265100    
 I   0.9319000      -2.571800       2.515800    
 I    2.218500       3.296600       1.080400    
 O    1.700700      -1.821900     -0.5358000    
 O   -2.905500       2.189300     -0.5510000    
 O   -5.109100       1.880800     -0.9922000    
 O    5.257300       2.272800      0.4569000    
 N   -5.384300      0.6531000       1.446600    
 C   -3.793500     -0.8290000      0.3119000    
 C   -4.073900      0.5999000      0.8024000    
 C   -2.322900      -1.094200      8.5199997E-02
 C   -1.554400      -1.584800       1.127800    
 C   -1.773200     -0.8416000      -1.160600    
 C   0.3719000      -1.580900     -0.3305000    
 C  -0.4161000      -1.086900      -1.370000    
 C  -0.1974000      -1.829900      0.9183000    
 C   -4.111100       1.599500     -0.3408000    
 C    2.583600     -0.7883000     -0.2841000    
 C    2.093000      0.4281000      0.1587000    
 C    3.938400     -0.9944000     -0.4804000    
 C    2.984400       1.470300      0.4128000    
 C    4.829700      4.7899999E-02 -0.2264000    
 C    4.352800       1.280300      0.2202000    
 H   -4.349700      -1.039900     -0.6119000    
 H   -4.158100      -1.563000       1.044100    
 H   -3.331400      0.9322000       1.537100    
 H   -2.010700      -1.771700       2.096700    
 H   -2.399000     -0.4592000      -1.963000    
 H   -5.393500      2.9600000E-02   2.253300    
 H   -6.097300      0.2950000      0.8114000    
 H    1.039600      0.6259000      0.3234000    
 H    4.310900      -1.953300     -0.8280000    
 H    5.892800     -0.1163000     -0.3814000    
 H   -2.940500       2.842400      -1.282200    
 H    6.152400       1.944700      0.2645000    


%chk=000005920-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005920

0 1
I 0.375079 -0.925827 -3.298622
I 0.912764 -2.469705 2.639952
I 2.402538 3.617001 0.734905
O 1.705147 -1.790988 -0.445634
O -2.501071 2.040954 0.430047
O -4.237184 1.860600 -1.104161
O 5.347860 2.473706 0.203777
N -5.676135 0.723592 1.107697
C -3.969368 -0.989475 0.273619
C -4.257085 0.435825 0.907557
C -2.492967 -1.268103 0.065413
C -1.679408 -1.677063 1.152257
C -1.891102 -1.056189 -1.200591
C 0.323847 -1.587090 -0.271053
C -0.500627 -1.218288 -1.364506
C -0.289558 -1.834122 0.983907
C -3.701912 1.508969 -0.028710
C 2.583808 -0.681242 -0.268453
C 2.132522 0.611980 0.074052
C 3.954191 -0.949550 -0.454758
C 3.075624 1.649135 0.225386
C 4.884097 0.095056 -0.298843
C 4.457419 1.404847 0.041397
H -4.522505 -1.042731 -0.682044
H -4.415138 -1.730077 0.964187
H -3.722079 0.505047 1.869959
H -2.131886 -1.869140 2.130313
H -2.510398 -0.761121 -2.053603
H -6.160458 0.139649 1.790757
H -6.201801 0.911458 0.250220
H 1.067643 0.812143 0.218722
H 4.272884 -1.961687 -0.717030
H 5.953080 -0.106530 -0.442802
H -2.153658 2.711671 -0.221015
H 6.281236 2.183597 0.051800


