%chk=000148961.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148961

0 1
 O   -5.557900     -0.7035000      0.4130000    
 O   -4.306000     -0.8035000      -1.477100    
 O  -0.6367000      -1.611500       1.799400    
 O    1.493600      -1.089100      -1.593500    
 N   -2.197000      -1.657000      7.6399997E-02
 N    1.223400      -2.694400      5.9200000E-02
 N    4.153000      -2.688800      -1.002700    
 N  -0.7110000       4.820400     -0.9824000    
 N    3.114200       2.071800     -0.2482000    
 N    2.139200       2.058000       1.747100    
 C   -2.686300      0.6044000      0.9395000    
 C   -2.186300       1.333800     -0.3140000    
 C   -3.192700     -0.8173000      0.6911000    
 C   -1.636300       2.733700     -2.0600000E-02
 C   -1.193900       3.478000      -1.282600    
 C    3.415300      -1.679700     -0.2413000    
 C    3.986000     -0.2837000     -0.5341000    
 C   -4.377600     -0.7924000     -0.2550000    
 C  -0.9917000      -1.987800      0.6851000    
 C  -0.1714000      -2.927600     -0.1724000    
 C    1.958800      -1.775400     -0.6849000    
 C    3.270500      0.8036000      0.2358000    
 C    2.661100      0.8197000       1.468500    
 C    2.429700       2.788600      0.6936000    
 H   -3.497100       1.196400       1.384000    
 H   -1.880200      0.5896000       1.682100    
 H   -1.398400      0.7461000     -0.7999000    
 H   -3.004200       1.431600      -1.036500    
 H   -3.484800      -1.293200       1.634000    
 H   -2.409600       3.319800      0.4925000    
 H  -0.7909000       2.649300      0.6733000    
 H   -2.401700      -2.054200     -0.8366000    
 H    3.496400      -1.906200      0.8283000    
 H  -0.3995000       2.914100      -1.784500    
 H   -2.034200       3.554600      -1.981100    
 H    3.928700     -5.9999999E-02  -1.607800    
 H    5.047600     -0.2498000     -0.2566000    
 H  -0.3954000      -2.792800      -1.235300    
 H  -0.4021000      -3.957500      0.1156000    
 H    1.679600      -3.213700      0.8035000    
 H    5.139800      -2.653100     -0.7496000    
 H    3.827100      -3.618800     -0.7413000    
 H   8.2999997E-02   4.765400     -0.3462000    
 H  -0.3643000       5.254300      -1.836800    
 H    3.443600       2.419500      -1.139000    
 H    2.568600      7.0000002E-03   2.174400    
 H   -6.322500     -0.6640000     -0.2004000    
 H    2.178400       3.829800      0.5519000    


%chk=000148961-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148961

0 1
O -5.607313 -0.369466 0.072561
O -4.418126 -0.912316 -1.848744
O -1.006485 -2.269744 1.451364
O 2.352005 -1.670053 -1.902443
N -2.213806 -1.617057 -0.426995
N 1.248416 -2.545884 -0.054080
N 4.419863 -2.768074 0.333438
N -0.299668 4.651742 0.343776
N 2.614134 1.077724 -1.441036
N 2.276967 2.875988 -0.121150
C -2.847374 0.353316 1.018262
C -2.450065 1.464179 0.021516
C -3.296592 -0.988271 0.349033
C -1.626855 2.583124 0.699187
C -1.318228 3.766388 -0.246663
C 3.493639 -1.624205 0.315779
C 4.265943 -0.356646 -0.151010
C -4.463409 -0.772372 -0.603850
C -1.134039 -2.194129 0.185631
C -0.032208 -2.751234 -0.738649
C 2.330059 -1.944339 -0.657641
C 3.415769 0.874900 -0.306682
C 3.194184 2.004725 0.492036
C 1.947102 2.279482 -1.290174
H -3.669057 0.696994 1.673280
H -1.991909 0.099743 1.670389
H -1.844112 1.032633 -0.801899
H -3.357930 1.896002 -0.449234
H -3.611349 -1.675951 1.156680
H -2.148968 2.972130 1.594902
H -0.666508 2.158874 1.055939
H -2.297880 -1.576259 -1.448387
H 3.042273 -1.395168 1.314240
H -1.031828 3.344080 -1.247245
H -2.245674 4.349837 -0.414493
H 4.759144 -0.615561 -1.105890
H 5.060093 -0.151665 0.591258
H 0.016547 -2.242762 -1.717220
H -0.220017 -3.827770 -0.921132
H 1.197285 -2.615359 0.969744
H 5.338282 -2.578361 0.740890
H 4.022473 -3.666903 0.613589
H 0.633620 4.210580 0.402751
H -0.258111 5.583226 -0.081234
H 2.493852 0.352313 -2.158038
H 3.635992 2.245760 1.456527
H -6.345642 -0.209178 -0.575668
H 1.253411 2.679485 -2.025315


