%chk=000100190.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100190

0 1
 O   1.0400000E-02   2.408700     -0.9171000    
 O   -2.426300      -2.820200      6.6399999E-02
 O  -0.5302000      -1.788000     -0.3543000    
 N    2.465600      0.1601000      0.6997000    
 N   -1.843900      0.6377000      0.4052000    
 N   -3.684900     -0.3363000     -0.3108000    
 N   -1.768300      -1.754100     -0.1011000    
 C    3.531600     -0.4615000     -7.3200002E-02
 C    3.839100      0.3809000       1.130300    
 C    1.925000       1.356200      6.7900002E-02
 C    3.663400      -1.938200      6.1500002E-02
 C    3.907400      6.4599998E-02  -1.415000    
 C   0.4646000       1.173300     -0.3593000    
 C  -0.4506000      0.8139000      0.8180000    
 C   -2.419400     -0.5188000     -5.7999999E-03
 C   -2.772300       1.624100      0.3681000    
 C   -3.911200      0.9976000     -8.0499999E-02
 H    4.121600     -0.1099000       2.053300    
 H    4.271300       1.365100      0.9971000    
 H    2.477000       1.800000     -0.7654000    
 H    1.937200       2.159700      0.8208000    
 H    3.058800      -2.449300     -0.6960000    
 H    4.706000      -2.247000     -7.0900001E-02
 H    3.336000      -2.301700       1.042600    
 H    3.065300      1.6600000E-02  -2.114400    
 H    4.306200       1.084800      -1.392500    
 H    4.708900     -0.5459000      -1.849200    
 H   0.4019000      0.4281000      -1.158200    
 H  -0.4604000       1.631400       1.551300    
 H  -0.1369000     -8.3999999E-02   1.358400    
 H   6.9700003E-02   3.091000     -0.2267000    
 H   -2.566600       2.647800      0.6486000    
 H   -4.882600       1.439100     -0.2489000    


%chk=000100190-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100190

0 1
O -0.032903 2.770441 -0.712328
O -1.849267 -2.771119 -1.240734
O 0.014715 -1.561593 -0.689286
N 2.616004 0.582871 0.889381
N -1.628474 0.501226 0.356104
N -3.431664 -0.528242 -0.615757
N -1.281977 -1.712929 -0.786559
C 3.328427 -0.483973 0.050579
C 4.128413 0.500569 0.894685
C 2.029030 1.780788 0.238424
C 3.118723 -1.898043 0.580375
C 3.381005 -0.382247 -1.472059
C 0.587329 1.514872 -0.253189
C -0.265978 0.828446 0.836874
C -2.106942 -0.609049 -0.359432
C -2.731718 1.323570 0.538445
C -3.829087 0.676749 -0.060305
H 4.581963 0.181096 1.839578
H 4.680790 1.288691 0.361168
H 2.610167 2.179292 -0.623296
H 2.008115 2.581198 1.010631
H 2.189403 -2.330125 0.169183
H 3.965512 -2.548837 0.291440
H 3.041934 -1.892143 1.681300
H 2.460279 -0.800578 -1.918855
H 3.509884 0.653462 -1.832393
H 4.235798 -0.971232 -1.852819
H 0.599097 0.875750 -1.148997
H -0.376705 1.498147 1.709817
H 0.252895 -0.084434 1.162114
H 0.119969 3.473390 -0.028153
H -2.651583 2.273913 1.058478
H -4.859752 1.015872 -0.124516


