%chk=000157822.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157822

0 1
 O   -2.346100     -0.3371000       1.086000    
 O   -1.571700       2.220100      -1.305700    
 O   -3.771000       2.183200      0.3068000    
 O   -4.016600      -2.545400      0.6376000    
 O    3.538100       1.217400       1.789700    
 N  -0.1985000     -0.2676000      0.1653000    
 N    1.015800      -2.094400     -0.3773000    
 N    1.389000       1.493600     -2.0300001E-02
 N    4.105100     -5.7900000E-02 -0.1325000    
 N    3.780600      -2.347900     -0.6265000    
 C   -1.389000      0.4953000      0.4108000    
 C   -2.052800      0.9643000     -0.8724000    
 C   -3.511800       1.014900     -0.4711000    
 C   -3.632800     -0.1952000      0.4450000    
 C   -3.936100      -1.487500     -0.3014000    
 C    1.070600      0.2556000     -3.0099999E-02
 C  -0.1607000      -1.610600     -8.1900001E-02
 C    1.892800     -0.9980000     -0.2984000    
 C    3.236800      -1.110000     -0.3552000    
 C    2.726000       1.952800     -0.3671000    
 C    3.832300       1.254600      0.3987000    
 H   -1.163700       1.338200       1.075500    
 H   -1.905400      0.2383000      -1.681300    
 H   -4.198400       1.016500      -1.322500    
 H   -4.366600     -4.1700002E-02   1.244300    
 H   -3.153200      -1.744200      -1.019900    
 H   -4.888400      -1.422700     -0.8371000    
 H   -1.091100      -2.190300     -3.3900000E-02
 H   -2.117800       2.497200      -2.061000    
 H   -4.706300       2.154200      0.5718000    
 H    2.758100       3.020000     -0.1161000    
 H    2.879200       1.884100      -1.450900    
 H    4.750600       1.842700      0.2870000    
 H    5.085800     -0.3132000     -0.2097000    
 H   -4.745500      -2.343700       1.248800    
 H    3.178400      -3.146100     -0.7856000    
 H    4.787100      -2.447200     -0.6595000    
 H    3.369300       2.130200       2.079000    


%chk=000157822-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157822

0 1
O -2.093000 -0.242357 0.825360
O -2.066919 1.584480 -2.402564
O -3.683450 2.305406 -0.433215
O -3.882629 -2.115129 1.799421
O 3.141984 0.625251 2.269379
N -0.128278 -0.224204 -0.545522
N 1.307397 -1.850642 -1.242299
N 1.342509 1.498198 0.302819
N 4.241245 -0.045723 0.206730
N 4.018684 -2.081149 -0.987294
C -1.343267 0.481395 -0.254529
C -2.375861 0.577429 -1.415065
C -3.699952 0.848041 -0.651442
C -3.551455 0.042215 0.658130
C -4.261967 -1.321670 0.634680
C 1.173180 0.294909 -0.245163
C 0.033867 -1.490237 -1.138226
C 2.056504 -0.769538 -0.680563
C 3.443913 -0.937389 -0.477205
C 2.731329 1.996790 0.261569
C 3.747596 1.077432 1.026159
H -1.048719 1.486765 0.102198
H -2.434657 -0.380419 -1.959335
H -4.593635 0.554358 -1.236380
H -3.882931 0.628634 1.537223
H -4.017759 -1.858038 -0.309785
H -5.357226 -1.195518 0.700150
H -0.810698 -2.102096 -1.447140
H -2.324611 2.461332 -2.007628
H -4.509103 2.602422 0.019735
H 2.744215 2.983042 0.757362
H 3.096717 2.124658 -0.778961
H 4.647565 1.653478 1.306072
H 5.232555 -0.272383 0.299169
H -2.892062 -2.068363 1.869273
H 3.370352 -2.718309 -1.457412
H 4.950181 -2.394956 -0.729864
H 2.150484 0.714385 2.153062


