%chk=000160381.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160381

0 1
 O   -1.316600      0.9280000      0.3340000    
 N   -5.881800      0.8850000     -2.6900001E-02
 N   -2.579300     -0.6578000     -0.7921000    
 N    1.263500      0.6101000     -5.3399999E-02
 N    4.911600      0.5902000      0.1161000    
 C   -4.723300      2.4499999E-02  0.1747000    
 C   -3.750000      0.1671000     -0.9862000    
 C   0.9971000     -0.7070000     -3.5000001E-03
 C  -0.3191000      -1.160500     -4.2800002E-02
 C    2.023000      -1.658800      8.9100003E-02
 C   -1.426800     -0.2157000     -0.1366000    
 C    3.342300      -1.191000      0.1279000    
 C    3.633300      0.1643000      7.7200003E-02
 C    2.541500       1.037300     -1.4600000E-02
 C  -0.6257000      -2.522400      7.4999998E-03
 C    1.718400      -3.030500      0.1398000    
 C   0.3951000      -3.459900      9.8999999E-02
 C   -5.469400       2.284100     -0.1565000    
 C   -6.833200      0.7373000       1.076200    
 C    2.826400       2.396500     -6.5600000E-02
 C    4.135400       2.859500     -2.7100001E-02
 C    5.137900       1.919500      6.3699998E-02
 H   -5.042600      -1.023900      0.2379000    
 H   -4.215500      0.2556000       1.121000    
 H   -3.385100       1.189600      -1.114700    
 H   -4.215900     -0.1494000      -1.926100    
 H   -2.604300      -1.577900      -1.218400    
 H    4.163000      -1.904400      0.1996000    
 H   -1.646800      -2.892500      1.5900001E-02
 H    2.511400      -3.771400      0.2135000    
 H   0.1633000      -4.519500      0.1472000    
 H   -6.345900       2.943500     -0.1298000    
 H   -4.794900       2.600100      0.6477000    
 H   -5.002200       2.484900      -1.125300    
 H   -7.164700     -0.3037000       1.161500    
 H   -6.402900       1.042600       2.037100    
 H   -7.732100       1.336800      0.8935000    
 H    2.015600       3.118700     -0.1372000    
 H    4.357000       3.919400     -6.6799998E-02
 H    6.181000       2.214500      9.7999997E-02


%chk=000160381-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160381

0 1
O -2.638042 -1.393924 2.026773
N -5.237400 1.610076 -0.253421
N -1.783840 0.397631 0.800248
N 0.777995 0.219712 -0.041738
N 4.273221 0.464031 -1.393254
C -3.972288 0.843706 -0.334192
C -3.030860 1.167800 0.855601
C 0.837576 -1.004286 0.582648
C -0.328500 -1.530696 1.273078
C 2.068402 -1.802032 0.570391
C -1.678541 -0.836891 1.392222
C 3.202798 -1.284772 -0.099282
C 3.142128 -0.027673 -0.739238
C 1.883633 0.703140 -0.684063
C -0.233285 -2.779781 1.894832
C 2.101284 -3.078839 1.230468
C 0.968644 -3.556466 1.879566
C -6.174934 1.070456 0.755092
C -5.891406 1.775437 -1.567314
C 1.828818 1.982611 -1.338851
C 2.964270 2.458934 -1.986388
C 4.166124 1.662231 -1.986645
H -3.459963 1.119895 -1.275479
H -4.143120 -0.260661 -0.360824
H -3.534971 0.926524 1.807300
H -2.798340 2.247279 0.845503
H -0.930741 0.735120 0.307148
H 4.143314 -1.845057 -0.133854
H -1.133002 -3.142763 2.404122
H 3.030428 -3.659957 1.209941
H 0.986572 -4.527917 2.384064
H -7.047508 1.742401 0.844380
H -6.546100 0.045923 0.498936
H -5.689232 1.013654 1.743171
H -5.193571 2.257016 -2.275510
H -6.235574 0.810830 -2.021152
H -6.774837 2.431151 -1.460134
H 0.892184 2.548154 -1.308459
H 2.963266 3.427734 -2.495836
H 5.064097 2.033068 -2.495350


