%chk=000042831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042831

0 1
 O   0.9063000      0.9250000      -1.822400    
 O   0.7940000      -2.025400       1.489900    
 O    1.012100      -2.196700     -0.7652000    
 N   -2.026600       2.484700       1.297300    
 N    1.973800      0.8108000      0.2415000    
 N    2.948400     -7.0000000E-02 -0.2151000    
 N   -5.007500      -1.722800     -0.1558000    
 C   -1.172100       1.475700      0.6648000    
 C   -1.972700      0.6502000     -0.3645000    
 C   1.2200000E-02   2.201500      4.8000002E-03
 C   -3.153100     -0.1173000      0.2493000    
 C   -3.931000     -0.9549000     -0.7698000    
 C    1.000400       1.247000     -0.6395000    
 C    2.860100      -1.331600      0.5179000    
 C    4.273000      0.5273000     -5.9900001E-02
 C    1.482700      -1.903700      0.3266000    
 H  -0.7970000      0.7992000       1.442100    
 H   -1.313300     -8.3400004E-02 -0.8422000    
 H   -2.344900       1.306500      -1.161900    
 H   0.5461000       2.812800      0.7442000    
 H  -0.3364000       2.891700     -0.7745000    
 H   -3.846200      0.5858000      0.7272000    
 H   -2.771200     -0.7740000       1.041800    
 H   -4.356900     -0.2977000      -1.535700    
 H   -3.247600      -1.645900      -1.276100    
 H   -2.379200       3.130600      0.5917000    
 H   -1.475600       3.045900       1.945800    
 H    2.000800       1.103300       1.214000    
 H   -5.451700      -2.307800     -0.8623000    
 H   -4.620700      -2.358400      0.5406000    
 H    3.058700      -1.197300       1.589000    
 H    3.577500      -2.068000      0.1381000    
 H    4.343300       1.458100     -0.6345000    
 H    5.045700     -0.1444000     -0.4499000    
 H    4.507500      0.7537000      0.9871000    
 H  -0.1104000      -2.376400       1.344300    


%chk=000042831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042831

0 1
O 1.135219 1.332964 -1.891705
O 0.556980 -1.406136 1.954539
O 0.799052 -2.861862 0.156735
N -2.090157 2.464964 1.432205
N 1.861252 0.804010 0.269230
N 2.718546 -0.252114 -0.141609
N -4.455128 -2.086934 -0.399515
C -1.166723 1.618506 0.652626
C -1.959631 0.866298 -0.443515
C 0.044020 2.422358 0.038805
C -2.819373 -0.286130 0.117874
C -3.762810 -0.895547 -0.938822
C 1.057243 1.497316 -0.641861
C 2.681850 -1.380545 0.816409
C 4.085024 0.207580 -0.490943
C 1.280754 -1.983373 0.895491
H -0.740340 0.871162 1.352248
H -1.261176 0.477404 -1.207776
H -2.612398 1.598699 -0.966552
H 0.520083 3.011338 0.848268
H -0.329785 3.126801 -0.725225
H -3.413865 0.064571 0.980345
H -2.143835 -1.090457 0.488041
H -4.532902 -0.145183 -1.203896
H -3.177062 -1.098436 -1.869188
H -2.615870 3.135224 0.860749
H -1.682427 2.903287 2.264261
H 1.819716 1.041405 1.270345
H -5.242903 -2.408593 -0.971238
H -3.815662 -2.858232 -0.177694
H 3.008214 -1.090039 1.844706
H 3.363268 -2.158236 0.434432
H 3.993166 0.997390 -1.252302
H 4.639551 -0.636792 -0.935162
H 4.657644 0.601328 0.381691
H -0.371036 -1.769896 1.966704


