%chk=000049312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049312

0 1
 O  -0.7161000      0.2128000       2.143300    
 O   0.3498000      0.3905000      -2.538800    
 O    3.396800      -1.049200      0.5660000    
 N    1.324700     -0.4129000       1.321100    
 N    1.845700     -0.3238000     -0.9625000    
 C  -0.4130000      0.3484000     -0.2480000    
 C  -0.9257000       1.793400     -0.3141000    
 C   3.1199999E-02  5.6699999E-02   1.175300    
 C   0.6083000      0.1538000      -1.356900    
 C   -2.125900       1.972100      0.6088000    
 C   0.1888000       2.768000      4.9600001E-02
 C   -1.520900     -0.6269000     -0.5320000    
 C    2.265100     -0.6254000      0.3244000    
 C   -1.603900      -1.844500      2.2700001E-02
 C   -2.704700      -2.812800     -0.2587000    
 H   -1.256800       2.026000      -1.335900    
 H   -1.850600       2.135700       1.654900    
 H   -2.650500       2.891200      0.3154000    
 H   -2.874000       1.177500      0.5540000    
 H   0.5456000       2.639900       1.076700    
 H  -0.1749000       3.798600     -3.4800000E-02
 H    1.047400       2.678400     -0.6231000    
 H   -2.282200     -0.3304000      -1.251600    
 H    1.621900     -0.6216000       2.270200    
 H    2.528200     -0.4669000      -1.701800    
 H  -0.8487000      -2.210700      0.7111000    
 H   -3.224700      -3.065500      0.6703000    
 H   -3.440700      -2.412000     -0.9628000    
 H   -2.292300      -3.733100     -0.6836000    


%chk=000049312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049312

0 1
O -0.410088 -0.017949 2.247300
O 0.376163 0.420760 -2.556115
O 3.764937 -0.767123 0.384951
N 1.633536 -0.360414 1.256577
N 2.021745 -0.185144 -1.060726
C -0.330855 0.234053 -0.206621
C -0.950037 1.710988 -0.247468
C 0.260214 -0.049086 1.181205
C 0.698122 0.173548 -1.365086
C -2.218426 1.868079 0.614912
C 0.114237 2.772888 0.121292
C -1.405520 -0.803522 -0.583204
C 2.560380 -0.461583 0.206516
C -1.952673 -1.757298 0.210684
C -3.014378 -2.727663 -0.253909
H -1.227082 1.847795 -1.311638
H -1.999963 1.716597 1.684928
H -2.623861 2.888057 0.478510
H -3.000081 1.146024 0.323373
H 0.415230 2.690908 1.182539
H -0.303793 3.784803 -0.024319
H 1.020343 2.697657 -0.508674
H -1.727421 -0.707829 -1.630390
H 2.004369 -0.551533 2.193687
H 2.676405 -0.248581 -1.847530
H -1.647038 -1.837509 1.262580
H -3.938908 -2.616072 0.345194
H -3.271135 -2.579611 -1.317289
H -2.676520 -3.773940 -0.122079


