%chk=000048858.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048858

0 1
 O    3.446400      -1.378500     -0.3940000    
 O    2.541700     -8.4100001E-02   1.398400    
 O   0.9929000      0.7302000      -3.102900    
 N   -3.814000      -1.851900      0.3004000    
 N   -2.386400       2.594600      0.7833000    
 N   0.6094000     -0.6755000     -0.7416000    
 N   -3.126800      0.3811000      0.5523000    
 N  -0.8653000      0.9809000      1.9700000E-02
 N   -1.593700      -1.291900     -0.2279000    
 C    1.708200      0.2709000     -0.8705000    
 C    2.946100     -0.4766000      -1.379500    
 C    1.995100      0.8845000      0.5049000    
 C    3.688200     -0.7659000      0.8775000    
 C    1.283100       1.352100      -1.866200    
 C   -3.485500      -3.253300      0.5916000    
 C   -3.987200      -2.862900     -0.7507000    
 C   -1.338600       3.453900       1.316900    
 C   -1.939600       3.709100     -3.9200000E-02
 C   -2.794100     -0.8722000      0.2036000    
 C   -2.112900       1.253500      0.4351000    
 C  -0.6496000     -0.3195000     -0.3049000    
 C    4.924000      0.1412000      0.8463000    
 C    3.958600      -1.919900       1.847300    
 H    2.714000      -1.075800      -2.267500    
 H    3.744900      0.2159000      -1.668100    
 H    2.712200       1.708800      0.4082000    
 H    1.139500       1.321100       1.015100    
 H    2.115300       2.044500      -2.040400    
 H   0.4368000       1.975100      -1.579100    
 H   0.7606000      -1.650700     -0.9723000    
 H   -4.175200      -3.706200       1.289000    
 H   -2.438800      -3.484400      0.7194000    
 H   -3.295700      -2.801500      -1.577800    
 H   -5.025400      -3.043400     -0.9880000    
 H  -0.3430000       3.045300       1.376700    
 H   -1.671300       4.059900       2.147000    
 H   -2.681000       4.488600     -0.1344000    
 H   -1.379300       3.447700     -0.9235000    
 H    5.124200      0.5654000       1.836200    
 H    5.806700     -0.4110000      0.5063000    
 H    4.802500      0.9859000      0.1621000    
 H    4.138700      -1.555200       2.864400    
 H    3.091200      -2.589500       1.894100    
 H    4.813900      -2.523300       1.524600    
 H   0.2368000      0.1349000      -2.965000    


%chk=000048858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048858

0 1
O 3.617678 -1.504186 -0.349368
O 2.817700 -0.193288 1.538073
O 1.570206 1.161299 -3.089401
N -3.225320 -2.057141 0.588857
N -2.328219 2.552803 0.711057
N 0.970789 -0.489074 -0.766258
N -2.865197 0.268212 0.553998
N -0.645318 1.096590 -0.046849
N -1.115873 -1.300237 -0.120344
C 2.130113 0.437038 -0.774293
C 3.340400 -0.391856 -1.274212
C 2.469880 0.935720 0.656784
C 3.911580 -1.050766 1.037991
C 1.882907 1.629498 -1.733919
C -3.526049 -3.221489 -0.264163
C -4.626615 -2.228652 0.163985
C -2.201471 3.778430 -0.100968
C -3.577506 3.240385 0.341775
C -2.377133 -0.995536 0.313186
C -1.940580 1.262507 0.379072
C -0.292860 -0.209010 -0.286512
C 5.272008 -0.326978 1.105395
C 3.861051 -2.313236 1.892823
H 3.128901 -0.862818 -2.246717
H 4.220636 0.272066 -1.386610
H 3.296805 1.676654 0.606080
H 1.592174 1.404365 1.126384
H 2.805278 2.226327 -1.841403
H 1.070188 2.260672 -1.330454
H 1.205533 -1.487644 -0.740950
H -3.459745 -4.200476 0.220453
H -3.177509 -3.188156 -1.303359
H -5.013311 -1.532667 -0.590007
H -5.335828 -2.508459 0.949077
H -1.920896 3.661466 -1.154960
H -1.770027 4.647898 0.404778
H -4.115145 3.730573 1.159263
H -4.210277 2.762138 -0.415275
H 5.497516 -0.073854 2.155196
H 6.063721 -0.991562 0.719716
H 5.291811 0.608314 0.520366
H 4.036150 -2.059238 2.951247
H 2.866619 -2.777929 1.799058
H 4.628076 -3.030489 1.556810
H 0.804758 0.533688 -3.008501


