%chk=000048223.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048223

0 1
 O  -0.6149000       3.537600     -0.3671000    
 O   -2.597700       2.731700      0.3702000    
 O    5.335700       1.036000     -0.3547000    
 O    4.005000      0.2809000       1.322500    
 N   0.5596000       1.085700     -0.3281000    
 N   -5.869200      -1.262500     -0.8803000    
 C   -1.238700      7.0000002E-03  0.3993000    
 C  -0.1898000     -0.9398000      0.2314000    
 C   0.9272000     -0.2370000     -0.2258000    
 C   -2.609800     -0.2884000      0.8676000    
 C  -0.7476000       1.243000      4.7499999E-02
 C   -3.579200     -0.6263000     -0.2810000    
 C    2.150400     -0.8588000     -0.5001000    
 C  -8.2800001E-02  -2.331300      0.4250000    
 C    2.232700      -2.239800     -0.3006000    
 C    3.346100     -0.1117000     -0.9887000    
 C   -4.975900     -0.9694000      0.2343000    
 C    1.134500      -2.966700      0.1549000    
 C   -1.418700       2.505400      4.6799999E-02
 C    4.232900      0.4043000      0.1270000    
 H   -3.009900      0.5430000       1.458700    
 H   -2.578700      -1.138700       1.561600    
 H    1.167500       1.833200     -0.6339000    
 H   -3.637300      0.2258000     -0.9710000    
 H   -3.180200      -1.470600     -0.8587000    
 H  -0.9289000      -2.913900      0.7779000    
 H    3.163700      -2.766700     -0.4983000    
 H    3.032600      0.7452000      -1.595800    
 H    3.951200     -0.7610000      -1.633200    
 H   -4.930200      -1.836600      0.9021000    
 H   -5.382400     -0.1283000      0.8060000    
 H    1.222700      -4.039700      0.3027000    
 H   -6.780900      -1.539600     -0.5187000    
 H   -5.514500      -2.061900      -1.403600    
 H   -1.093900       4.393700     -0.3603000    
 H    5.909400       1.370600      0.3672000    


%chk=000048223-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048223

0 1
O -0.335951 3.577443 -0.125152
O -2.430772 2.857270 0.611526
O 5.170894 0.528476 0.307521
O 3.407452 1.988227 -0.043837
N 0.679772 1.082009 -0.255755
N -5.832132 -1.430506 -0.915595
C -1.216971 -0.004322 0.482479
C -0.174621 -0.978598 0.247530
C 0.996081 -0.268364 -0.213205
C -2.626818 -0.291515 0.928854
C -0.652518 1.250294 0.169792
C -3.557165 -0.691651 -0.253202
C 2.201366 -0.940742 -0.558557
C -0.123966 -2.392108 0.392870
C 2.214591 -2.338871 -0.387058
C 3.401800 -0.215037 -1.167626
C -4.987705 -1.018295 0.222074
C 1.073221 -3.057676 0.084889
C -1.258261 2.573112 0.254288
C 3.953481 0.880133 -0.269289
H -3.050367 0.601464 1.421321
H -2.618531 -1.114663 1.671703
H 1.351406 1.845993 -0.390940
H -3.608050 0.131195 -0.988662
H -3.129576 -1.570167 -0.779520
H -1.000355 -2.948901 0.742049
H 3.126501 -2.894157 -0.637354
H 3.098070 0.272241 -2.115105
H 4.201853 -0.937266 -1.388382
H -4.927406 -1.778911 1.042085
H -5.431620 -0.107027 0.666704
H 1.140676 -4.145341 0.194031
H -6.837144 -1.451992 -0.721567
H -5.510020 -2.280808 -1.388085
H -0.779537 4.463097 -0.046114
H 5.482324 1.260366 0.908089


