%chk=000178791.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178791

0 1
 O   -1.152600       2.454800       1.139200    
 O    2.578200       2.137600      -1.138000    
 N   0.2774000       1.488400      -1.149800    
 N    1.208200       2.476500      0.7881000    
 C  -1.9500000E-02  0.5765000     -1.5200000E-02
 C   3.4699999E-02   1.653300       1.112600    
 C    1.269100       2.452700     -0.6763000    
 C   -1.418700     -5.9000000E-02 -9.7400002E-02
 C    1.034700     -0.5537000      7.7900000E-02
 C   -2.130800     -0.3223000       1.070500    
 C    1.591600      -1.086800      -1.085200    
 C   -1.967900     -0.3691000      -1.339600    
 C    1.428500      -1.040400       1.324900    
 C   -3.398900     -0.8986000      0.9958000    
 C    2.541100      -2.105100      -1.001200    
 C   -3.236100     -0.9453000      -1.414300    
 C    2.378200      -2.058600       1.408900    
 C   -3.951600      -1.210000     -0.2465000    
 C    2.934500      -2.591000      0.2458000    
 H   0.1515000       1.247100       2.119400    
 H  -0.5715000       2.005400      -1.383600    
 H    1.020000       3.442600      -1.075200    
 H    1.069200       3.425700       1.129900    
 H   -1.720700     -0.1132000       2.053700    
 H    1.295400     -0.7384000      -2.070500    
 H   -1.428600     -0.1859000      -2.264400    
 H    1.001900     -0.6685000       2.249900    
 H   -1.145800       3.013200      0.3444000    
 H    3.192800       2.695000     -0.6314000    
 H   -3.954000      -1.109900       1.905000    
 H    2.971900      -2.522300      -1.906800    
 H   -3.665200      -1.191000      -2.381200    
 H    2.680600      -2.441000       2.379400    
 H   -4.938100      -1.660500     -0.3044000    
 H    3.672300      -3.385200      0.3110000    


%chk=000178791-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178791

0 1
O -0.948078 2.408895 1.724883
O 2.442233 2.562661 -1.509714
N 0.208079 1.523544 -1.193097
N 1.198372 2.593906 0.557388
C -0.024452 0.679023 0.013634
C 0.248886 1.714548 1.189852
C 1.108374 2.637153 -0.899231
C -1.425927 0.047504 -0.038632
C 1.027926 -0.464326 0.107538
C -2.234226 -0.123528 1.113709
C 1.878251 -0.759415 -0.984314
C -1.890084 -0.471411 -1.278024
C 1.120992 -1.256062 1.280955
C -3.485144 -0.774843 1.021027
C 2.817116 -1.813459 -0.900381
C -3.142573 -1.115579 -1.370616
C 2.061054 -2.305304 1.368312
C -3.948362 -1.268881 -0.218971
C 2.917875 -2.586649 0.278047
H 0.657605 1.237523 2.093128
H -0.607643 1.733272 -1.770724
H 0.732390 3.584357 -1.331745
H 1.677685 3.327588 1.074366
H -1.904038 0.278375 2.074769
H 1.774156 -0.166396 -1.899468
H -1.253902 -0.399247 -2.168108
H 0.444829 -1.071296 2.124837
H -1.457049 2.805142 0.970208
H 2.902185 1.769647 -1.124734
H -4.099085 -0.892532 1.921148
H 3.467497 -2.030309 -1.755764
H -3.481719 -1.508959 -2.335541
H 2.120922 -2.907695 2.281974
H -4.919259 -1.772288 -0.286399
H 3.646914 -3.401961 0.345087


