%chk=000110472.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110472

0 1
 O    6.493900     -0.3132000     -0.3244000    
 N    9.088900       2.135800      0.4676000    
 C   -2.289900     -0.4654000      0.2967000    
 C   -3.553300      0.3219000     -6.7800000E-02
 C  -0.9956000      0.2135000     -0.1587000    
 C   -4.881900     -0.3244000      0.3406000    
 C   0.2331000     -0.6017000      0.2514000    
 C   -6.108400      0.4776000     -0.1008000    
 C    1.557800      2.8400000E-02 -0.1925000    
 C   -7.435900     -0.2084000      0.2395000    
 C    2.789300     -0.7490000      0.2824000    
 C   -8.698400      0.5026000     -0.2595000    
 C    4.107800     -0.1577000     -0.2197000    
 C   -9.995100     -0.1956000      0.1522000    
 C    5.334700     -0.9689000      0.1744000    
 C   -11.21560      0.5445000     -0.3731000    
 C    7.678500      -1.022600      1.0900000E-02
 C    8.889800     -0.2853000     -0.5423000    
 C    9.000200       1.067800      2.2900000E-02
 H   -2.351700      -1.464600     -0.1518000    
 H   -2.263600     -0.6078000       1.384100    
 H   -3.561500      0.4809000      -1.153800    
 H   -3.492400       1.317600      0.3895000    
 H  -0.9331000       1.216800      0.2794000    
 H   -1.009000      0.3360000      -1.248200    
 H   -4.933700      -1.330000     -9.4499998E-02
 H   -4.901900     -0.4495000       1.430000    
 H   0.2402000     -0.7159000       1.342600    
 H   0.1586000      -1.611000     -0.1719000    
 H   -6.083800       1.469200      0.3669000    
 H   -6.061200      0.6375000      -1.185000    
 H    1.570800      9.5700003E-02  -1.287300    
 H    1.615700       1.055400      0.1888000    
 H   -7.500400     -0.3205000       1.329300    
 H   -7.424500      -1.224500     -0.1752000    
 H    2.799700     -0.7789000       1.378700    
 H    2.709600      -1.787300     -6.2500000E-02
 H   -8.702800       1.529500      0.1266000    
 H   -8.655300      0.5767000      -1.353200    
 H    4.217800      0.8679000      0.1553000    
 H    4.080300     -6.7699999E-02  -1.313300    
 H   -10.00150      -1.222000     -0.2322000    
 H   -10.05220     -0.2576000       1.245100    
 H    5.396700      -1.046200       1.266100    
 H    5.269600      -1.977500     -0.2498000    
 H   -11.25370       1.566000      1.8600000E-02
 H   -11.20290      0.5955000      -1.466600    
 H   -12.13160      2.9200001E-02 -6.7699999E-02
 H    7.637700      -2.029100     -0.4218000    
 H    7.755500      -1.112800       1.101500    
 H    8.801300     -0.2033000      -1.631900    
 H    9.799300     -0.8554000     -0.3249000    


%chk=000110472-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110472

0 1
O 6.568410 -0.301437 -0.320172
N 9.023161 2.331695 0.964412
C -2.332171 -0.585637 0.180785
C -3.579427 0.198658 -0.285518
C -1.003093 0.027527 -0.314506
C -4.909272 -0.408430 0.215199
C 0.245756 -0.746642 0.164309
C -6.154893 0.384462 -0.240994
C 1.573212 -0.126129 -0.325522
C -7.485165 -0.217721 0.264881
C 2.823031 -0.889641 0.167702
C -8.729888 0.581185 -0.183259
C 4.143991 -0.253505 -0.322184
C -10.060160 -0.017953 0.327565
C 5.377530 -1.003576 0.186259
C -11.297450 0.789698 -0.121145
C 7.817982 -0.912683 0.117784
C 8.959043 0.012462 -0.349194
C 8.988445 1.297197 0.371543
H -2.406433 -1.635775 -0.172197
H -2.322800 -0.631339 1.290117
H -3.591509 0.242730 -1.394868
H -3.502120 1.249298 0.065323
H -0.934782 1.080262 0.031578
H -1.008173 0.065826 -1.424046
H -4.991530 -1.456856 -0.141126
H -4.893699 -0.458436 1.324294
H 0.247628 -0.786427 1.273882
H 0.180566 -1.798922 -0.184064
H -6.070078 1.433366 0.113303
H -6.172928 0.432811 -1.350094
H 1.576781 -0.094504 -1.434978
H 1.632489 0.928444 0.015340
H -7.464324 -0.270595 1.373810
H -7.573673 -1.264969 -0.093571
H 2.814789 -0.920983 1.277448
H 2.765056 -1.944150 -0.175265
H -8.641116 1.629127 0.173069
H -8.754564 0.632290 -1.292172
H 4.207734 0.797926 0.017911
H 4.169056 -0.233969 -1.428855
H -10.149978 -1.063908 -0.031017
H -10.033376 -0.071122 1.435285
H 5.399239 -1.018617 1.299363
H 5.377788 -2.057695 -0.174283
H -11.245381 1.831454 0.248358
H -11.365211 0.829735 -1.224901
H -12.234680 0.342659 0.258813
H 7.950222 -1.915610 -0.345959
H 7.836992 -1.032411 1.222806
H 8.832844 0.208994 -1.429844
H 9.932032 -0.495965 -0.210704


