%chk=000049145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049145

0 1
 O   0.6479000       1.090500       2.107600    
 O  -0.1054000     -0.2570000      -2.442800    
 O    2.348900      -2.827800      0.4493000    
 N    1.478400     -0.8599000       1.248100    
 N    1.113300      -1.516100     -0.9723000    
 C   0.1138000      0.5958000     -0.1942000    
 C   0.5693000       1.977400     -0.6830000    
 C   0.7622000      0.3203000       1.151800    
 C   0.3558000     -0.4082000      -1.309600    
 C   -1.367300      0.5792000      6.1200000E-02
 C   0.1227000       3.058600      0.2944000    
 C    2.082600       2.002100     -0.8659000    
 C   -2.029900     -0.4822000      0.5431000    
 C    1.690200      -1.804500      0.2553000    
 C   -3.509000     -0.4992000      0.7924000    
 C   -4.273500     -0.9691000     -0.4353000    
 H   0.1075000       2.199200      -1.655300    
 H   -1.965400       1.439000     -0.2316000    
 H   0.8092000       3.179800       1.138600    
 H   0.1573000       4.025000     -0.2266000    
 H  -0.8933000       2.973800      0.6831000    
 H    2.626000       1.837100      7.0200004E-02
 H    2.396100       2.980700      -1.247800    
 H    2.419900       1.255400      -1.591500    
 H    1.903200      -1.054600       2.150500    
 H    1.267800      -2.196100      -1.711500    
 H   -1.493300      -1.393900      0.7925000    
 H   -3.858800      0.5001000       1.078100    
 H   -3.721300      -1.158500       1.641700    
 H   -5.347600     -0.9909000     -0.2254000    
 H   -3.966200      -1.978100     -0.7306000    
 H   -4.109800     -0.2999000      -1.286800    


%chk=000049145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049145

0 1
O 0.422689 0.346508 2.064746
O 0.320588 0.252668 -2.819668
O 2.585057 -2.961660 -0.352865
N 1.481396 -1.253577 0.801364
N 1.411798 -1.333122 -1.552238
C 0.146443 0.528549 -0.380507
C 0.640346 2.046609 -0.496069
C 0.673954 -0.102852 0.915481
C 0.627383 -0.174394 -1.676491
C -1.391498 0.460995 -0.448558
C -0.003954 2.987157 0.541912
C 2.184739 2.135641 -0.450217
C -2.250587 0.074099 0.526842
C 1.875750 -1.925775 -0.366574
C -3.755574 0.037465 0.360181
C -4.338064 -1.378676 0.608352
H 0.302260 2.352533 -1.506212
H -1.779066 0.774990 -1.428806
H 0.312683 2.736642 1.568025
H 0.302287 4.027452 0.323743
H -1.105692 2.938372 0.506178
H 2.574953 1.851958 0.545169
H 2.503764 3.175097 -0.644387
H 2.666365 1.495723 -1.213161
H 1.814715 -1.662975 1.680872
H 1.688956 -1.799745 -2.422342
H -1.868911 -0.224555 1.513602
H -4.035391 0.387845 -0.651407
H -4.217314 0.741145 1.083350
H -5.439804 -1.370663 0.522445
H -4.078939 -1.742770 1.619868
H -3.940032 -2.102685 -0.124928


