%chk=000001652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001652

0 1
 O   -1.305900     -0.7339000     -0.7380000    
 O   -1.038600       2.677000      0.2419000    
 O   -3.274500       1.051900       1.661200    
 O   -3.404800      -2.620500     -0.7719000    
 O    1.789500       1.896600      -1.404800    
 N   0.8350000      8.3400004E-02 -0.2757000    
 N    4.708300      -1.150000      0.7457000    
 C   -1.153400       1.290300      0.5052000    
 C   -2.597500      0.8466000      0.4366000    
 C  -0.5140000      0.4563000     -0.5939000    
 C   -2.439900     -0.6335000      0.1380000    
 C   -3.658400      -1.246500     -0.5279000    
 C    1.908200      0.8743000     -0.7312000    
 C    1.078900      -1.058800      0.4819000    
 C    3.280200      0.4152000     -0.3548000    
 C    2.314300      -1.453900      0.8085000    
 C    3.472700     -0.6947000      0.3792000    
 H  -0.7258000       1.099000       1.496300    
 H   -3.142500       1.371000     -0.3576000    
 H  -0.5284000      0.9815000      -1.556400    
 H   -2.203900      -1.201400       1.047300    
 H   -3.857900     -0.7700000      -1.493300    
 H   -4.543200      -1.158300      0.1100000    
 H   -1.426100       2.857500     -0.6313000    
 H   -3.241600       2.004100       1.855500    
 H   0.2267000      -1.630400      0.8289000    
 H    4.112100       1.019900     -0.7018000    
 H    2.460800      -2.346600       1.407900    
 H   -4.198500      -2.986900      -1.197800    
 H    5.537200     -0.6428000      0.4616000    
 H    4.797400      -1.992900       1.299200    


%chk=000001652-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001652

0 1
O -1.396111 -0.786024 -0.829355
O -1.153244 2.777213 -0.312771
O -3.389458 1.289283 1.433789
O -3.509173 -2.779887 -0.001554
O 1.457156 2.239424 -0.485962
N 0.841599 -0.022647 -0.299645
N 4.733225 -1.097910 0.831645
C -1.211027 1.420776 0.177350
C -2.668723 0.928954 0.219418
C -0.526290 0.385717 -0.768900
C -2.509707 -0.600168 0.160423
C -3.732288 -1.360574 -0.312240
C 1.819175 1.028185 -0.219186
C 1.145534 -1.338293 -0.023176
C 3.138041 0.621298 0.160638
C 2.418902 -1.719805 0.358702
C 3.455008 -0.718754 0.454763
H -0.774171 1.328767 1.196158
H -3.185607 1.311242 -0.686923
H -0.422746 0.811906 -1.783933
H -2.198603 -0.982295 1.153340
H -3.867801 -1.196785 -1.401595
H -4.612585 -0.964676 0.237056
H -0.163670 2.942594 -0.447389
H -3.409201 2.277887 1.495260
H 0.317177 -2.041143 -0.139789
H 3.888479 1.414630 0.220292
H 2.624504 -2.771801 0.572761
H -4.270775 -3.314346 -0.338332
H 5.479747 -0.411742 0.902310
H 4.949030 -2.067525 1.045345


