%chk=000226634.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226634

0 1
 O    2.495400       1.444700     -8.5000005E-03
 N    1.273900     -0.5650000      1.9999999E-04
 N    4.842300     -5.2000000E-03 -4.8000002E-03
 N    3.583600     -0.5975000     -6.0000003E-04
 C   -2.430300     -0.6621000      2.4000001E-03
 C   -2.728500      0.7212000     -2.4999999E-03
 C  -5.4600000E-02 -0.1382000     -6.9999998E-04
 C   -1.088000      -1.075300      3.5000001E-03
 C   -1.675600       1.650600     -6.0999999E-03
 C  -0.3479000       1.222300     -5.1000002E-03
 C   -3.483000      -1.591700      6.5000001E-03
 C   -4.070800       1.134400     -3.5000001E-03
 C   -4.810800      -1.163500      4.9999999E-03
 C   -5.104200      0.1969000       0.000000    
 C    2.447000      0.2166000     -2.9000000E-03
 C    5.583500     -0.4203000      -1.193800    
 C    5.567900     -0.3680000       1.210800    
 H  -0.8501000      -2.138000      7.3000002E-03
 H   -1.883000       2.718900     -9.7000003E-03
 H   0.3956000       2.006800     -8.0000004E-03
 H   -3.277300      -2.660100      1.0500000E-02
 H   -4.323500       2.192600     -7.3000002E-03
 H    1.413400      -1.572500      3.8999999E-03
 H   -5.615700      -1.892800      8.0000004E-03
 H   -6.138100      0.5296000     -1.0000000E-03
 H    3.518100      -1.610600      5.7999999E-03
 H    5.739900      -1.505000      -1.229000    
 H    6.562000      7.1500003E-02  -1.228600    
 H    5.047800     -0.1227000      -2.102700    
 H    5.020700     -3.1099999E-02   2.098900    
 H    6.546200      0.1246000       1.236800    
 H    5.722900      -1.450100       1.295300    


%chk=000226634-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226634

0 1
O 2.538460 1.440325 -0.008344
N 1.286358 -0.569891 0.006589
N 4.910239 -0.126045 0.002809
N 3.611017 -0.660812 0.008880
C -2.459010 -0.656757 0.003805
C -2.786634 0.754778 -0.006545
C -0.053132 -0.097554 0.001996
C -1.085823 -1.050775 0.007831
C -1.711093 1.702183 -0.012314
C -0.375660 1.305102 -0.008274
C -3.529124 -1.614266 0.009794
C -4.162998 1.153381 -0.010626
C -4.861679 -1.195890 0.005712
C -5.184206 0.199587 -0.004618
C 2.480184 0.183227 0.003458
C 5.646238 -0.426049 -1.241524
C 5.644729 -0.392785 1.255654
H -0.846424 -2.123357 0.015820
H -1.951531 2.772143 -0.020243
H 0.439428 2.030573 -0.012710
H -3.285998 -2.683908 0.017715
H -4.403558 2.223402 -0.018591
H 1.377955 -1.588716 0.012103
H -5.669992 -1.935694 0.010408
H -6.233965 0.512601 -0.007763
H 3.493533 -1.687309 0.021312
H 5.873551 -1.513387 -1.372631
H 6.601405 0.127005 -1.232422
H 5.053720 -0.080004 -2.103319
H 5.050916 -0.024306 2.107200
H 6.599623 0.160365 1.233277
H 5.872270 -1.476165 1.415662


