%chk=000044428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044428

0 1
 O   -2.786900     -0.6406000      -1.200000    
 N    1.674200     -3.7700001E-02 -0.1372000    
 N   -1.914400      0.7654000      0.4388000    
 C   0.3390000     -0.1768000      0.4431000    
 C    2.557100      -1.095800      0.3523000    
 C    2.232100       1.277900      0.1737000    
 C  -0.5879000      0.9016000     -9.8300003E-02
 C    1.992700      -2.470800      3.7799999E-02
 C    3.594400       1.463400     -0.4729000    
 C   -2.907400      1.9000000E-03 -0.1603000    
 C   -4.192800      1.1400000E-02  0.6231000    
 H   0.3694000     -0.1320000       1.540200    
 H  -0.1146000      -1.136400      0.1731000    
 H    3.527600      -1.052100     -0.1528000    
 H    2.740500      -1.011500       1.430800    
 H    1.622800       2.079600     -0.2518000    
 H    2.305000       1.451100       1.254600    
 H  -0.6401000      0.8616000      -1.192500    
 H  -0.2892000       1.909300      0.1995000    
 H    1.165100      -2.746200      0.6989000    
 H    1.661200      -2.547800      -1.003500    
 H    2.771400      -3.227700      0.1867000    
 H    4.380900      0.9011000      3.9700001E-02
 H    3.584600       1.179100      -1.530900    
 H    3.884400       2.519200     -0.4223000    
 H   -2.121100       1.241300       1.312500    
 H   -5.003000     -0.3860000      5.5000000E-03
 H   -4.079500     -0.6113000       1.514600    
 H   -4.449700       1.031900      0.9215000    


%chk=000044428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044428

0 1
O -2.212884 -1.632390 0.164941
N 1.753710 0.270243 0.170863
N -2.037656 0.676270 -0.016950
C 0.372025 0.442081 0.684536
C 2.270930 -1.115308 0.324605
C 2.707299 1.317002 0.621227
C -0.637570 0.625680 -0.480395
C 1.476554 -2.156235 -0.487953
C 3.915675 1.488460 -0.320821
C -2.738947 -0.480663 0.280270
C -4.181989 -0.287696 0.740826
H 0.314579 1.319403 1.360765
H 0.052505 -0.439734 1.276514
H 3.321527 -1.124556 -0.018440
H 2.281584 -1.419705 1.403864
H 2.155381 2.275540 0.653144
H 3.074000 1.125146 1.663332
H -0.532120 -0.227372 -1.170621
H -0.406927 1.550208 -1.038837
H 0.415915 -2.206083 -0.181944
H 1.514605 -1.911639 -1.564816
H 1.916143 -3.160909 -0.343283
H 4.555881 0.588583 -0.346009
H 3.567779 1.689048 -1.349419
H 4.545191 2.334273 0.013836
H -2.490851 1.581540 0.109895
H -4.855486 -0.808318 0.038124
H -4.313459 -0.760945 1.729024
H -4.487592 0.771176 0.807622


