%chk=000100677.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100677

0 1
 O   5.5300001E-02  -2.010600     -1.4000000E-03
 O    4.643200      -1.037500      4.2500000E-02
 N  -0.3480000      0.9523000     -0.1670000    
 N    3.147400      0.7405000     -8.2800001E-02
 N    2.356900      -1.546500      2.1500001E-02
 N    1.340800       2.407000     -0.2086000    
 N   -5.620100     -0.8881000     -0.2531000    
 C   0.7968000      0.2106000     -0.1046000    
 C    1.814400       1.124800     -0.1314000    
 C   -1.662500      0.4920000     -0.1714000    
 C   0.9797000      -1.202300     -2.5699999E-02
 C   3.1199999E-02   2.268300     -0.2282000    
 C    3.474800     -0.6364000     -3.7000000E-03
 C   -2.358600      0.3232000       1.020700    
 C   -2.268000      0.2065000      -1.390700    
 C    4.197000       1.751500     -0.1143000    
 C    2.698000      -2.962900      0.1046000    
 C   -3.675200     -0.1367000      0.9935000    
 C   -3.584800     -0.2534000      -1.417800    
 C   -4.288300     -0.4249000     -0.2256000    
 C   -1.729900      0.6226000       2.343500    
 H  -0.6830000       3.079500     -0.2851000    
 H   -1.732200      0.3351000      -2.327900    
 H    5.191200       1.299800     -6.8999998E-02
 H    4.073400       2.419400      0.7438000    
 H    4.111400       2.324100      -1.043100    
 H    1.814400      -3.604900      0.1197000    
 H    3.281900      -3.130900       1.015100    
 H    3.320400      -3.225600     -0.7568000    
 H   -4.228400     -0.2721000       1.920300    
 H   -4.051500     -0.4744000      -2.374300    
 H   -2.420600      0.4352000       3.173100    
 H  -0.8526000     -1.1500000E-02   2.507400    
 H   -1.435600       1.675400       2.402900    
 H   -6.130000      -1.015200      0.6110000    
 H   -6.064300      -1.099800      -1.136600    


%chk=000100677-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100677

0 1
O 0.183521 -2.075601 0.452659
O 4.746359 -0.936958 0.149707
N -0.376618 0.963835 -0.206966
N 3.189118 0.789341 -0.170790
N 2.465134 -1.467247 0.273858
N 1.368773 2.420271 -0.520367
N -5.810621 -0.673586 -0.312570
C 0.812761 0.222160 -0.035620
C 1.852004 1.148977 -0.239127
C -1.750932 0.506028 -0.201074
C 1.051053 -1.173592 0.242449
C 0.020631 2.264277 -0.493036
C 3.542539 -0.554968 0.086240
C -2.377652 0.064949 0.997766
C -2.472931 0.556954 -1.415253
C 4.245898 1.798178 -0.380075
C 2.867849 -2.867473 0.540764
C -3.732607 -0.319784 0.931943
C -3.823087 0.173136 -1.468020
C -4.474280 -0.280400 -0.284422
C -1.621532 -0.012691 2.307852
H -0.701329 3.058909 -0.662846
H -1.961045 0.886127 -2.326384
H 5.214734 1.285635 -0.292547
H 4.164058 2.594495 0.378441
H 4.141443 2.253068 -1.379176
H 1.946742 -3.452956 0.674641
H 3.493434 -2.914777 1.447071
H 3.456575 -3.258950 -0.304860
H -4.227665 -0.662824 1.849187
H -4.369332 0.211030 -2.417436
H -2.314308 -0.065426 3.164390
H -0.988295 -0.919330 2.318567
H -0.957751 0.858845 2.451941
H -6.268989 -1.023749 0.523396
H -6.339053 -0.661803 -1.179803


