%chk=000028921.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028921

0 1
 O    1.308400      0.5176000      -1.242100    
 O   -1.891700      -1.894000     -0.2712000    
 O   0.2664000      -2.577300      2.2600001E-02
 N    3.275700      0.6640000     -1.5000000E-02
 N   -5.823700       2.059600      6.2700003E-02
 C    6.122100      0.1597000     -8.8100001E-02
 C    5.255600     -0.3213000       1.074900    
 C    5.298400      0.2804000      -1.369200    
 C    4.019000      0.5580000       1.247000    
 C    4.062400       1.148900      -1.151100    
 C    1.919500      0.3843000     -0.1786000    
 C    1.180500     -0.1131000       1.038000    
 C  -0.2245000     -0.3348000      0.6302000    
 C   -1.155500      0.6248000      0.7167000    
 C   -2.527500      0.3766000      0.3082000    
 C  -0.5697000      -1.684100      0.1122000    
 C   -2.864900     -0.8813000     -0.1774000    
 C   -3.519000       1.357400      0.3873000    
 C   -4.161700      -1.187300     -0.5855000    
 C   -4.824700       1.065900     -1.8100001E-02
 C   -5.145000     -0.2040000     -0.5034000    
 H    6.954200     -0.5356000     -0.2447000    
 H    6.558700       1.135000      0.1597000    
 H    4.942300      -1.355600      0.8855000    
 H    5.842600     -0.3239000       1.999900    
 H    5.914700      0.7028000      -2.170400    
 H    4.987200     -0.7211000      -1.691500    
 H    3.404100      0.1614000       2.056200    
 H    4.312300       1.574900       1.533900    
 H    4.353700       2.182400     -0.9295000    
 H    3.459000       1.167600      -2.064100    
 H    1.643000      -1.029200       1.418600    
 H    1.236400      0.6475000       1.825700    
 H  -0.9070000       1.612300       1.093000    
 H   -3.277600       2.349200      0.7642000    
 H   -4.408400      -2.175000     -0.9625000    
 H   -6.158400     -0.4368000     -0.8203000    
 H   -5.595100       2.979700      0.4145000    
 H   -6.769300       1.851200     -0.2289000    


%chk=000028921-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028921

0 1
O 1.894164 2.887474 0.684893
O -1.080214 -1.685099 1.015561
O 0.936353 -1.819874 2.105398
N 3.326616 1.048437 0.668299
N -5.239750 1.200299 -1.461308
C 4.736426 -0.597312 -1.307152
C 3.818627 -1.225570 -0.233313
C 4.280208 0.845065 -1.630793
C 3.731405 -0.332297 1.028853
C 4.199668 1.695865 -0.343799
C 2.215242 1.733504 1.128090
C 1.316703 1.085006 2.206943
C 0.108135 0.409425 1.580702
C -0.903369 1.133867 0.978120
C -2.045177 0.489080 0.366134
C 0.066177 -1.061649 1.611864
C -2.102849 -0.933462 0.411041
C -3.101287 1.199553 -0.264056
C -3.186523 -1.635834 -0.151614
C -4.198048 0.511528 -0.838420
C -4.224280 -0.920309 -0.769924
H 4.739934 -1.218590 -2.222465
H 5.780610 -0.574159 -0.930106
H 2.799124 -1.363967 -0.642924
H 4.186718 -2.224913 0.066212
H 4.979962 1.327602 -2.339852
H 3.283098 0.825313 -2.112036
H 3.016625 -0.775901 1.736871
H 4.729062 -0.288378 1.515645
H 5.214572 1.807906 0.092610
H 3.787464 2.697942 -0.541547
H 1.851372 0.371774 2.851490
H 0.980724 1.930803 2.830719
H -0.823664 2.227261 0.951766
H -3.055032 2.294704 -0.301796
H -3.202116 -2.728161 -0.098597
H -5.068696 -1.464727 -1.208877
H -5.233475 2.213949 -1.520554
H -6.022011 0.700646 -1.872674


