%chk=000031044.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031044

0 1
 O   -3.701400      -3.070500     -0.7350000    
 N  -0.4958000     -0.3248000      5.6299999E-02
 N   -3.553400     -0.8694000      0.6897000    
 N   -2.422800      -2.759500     -0.2625000    
 C   0.4309000     -0.9187000     -0.9106000    
 C   -1.141000      -1.186300       1.014500    
 C  -0.7270000       1.059200      4.1800000E-02
 C    1.864800     -0.7751000     -0.4745000    
 C   -1.249600       1.674700      -1.100000    
 C  -0.4374000       1.833600       1.169800    
 C    2.586500      0.3466000     -0.8579000    
 C    2.444500      -1.766500      0.3046000    
 C   -2.456100      -1.655200      0.4234000    
 C   -1.480500       3.050300      -1.113600    
 C  -0.6684000       3.209100       1.156100    
 C    3.915100      0.4794000     -0.4540000    
 C    3.773000      -1.633700      0.7085000    
 C   -1.189900       3.817500      1.4400000E-02
 C    4.508300     -0.5106000      0.3292000    
 H   0.3001000     -0.4809000      -1.908700    
 H   0.2043000      -1.983900      -1.051500    
 H  -0.5222000      -2.062400       1.242200    
 H   -1.328200     -0.6830000       1.970000    
 H   -1.493400       1.092100      -1.984800    
 H  -2.1500001E-02   1.378200       2.065100    
 H    2.135900       1.123300      -1.469100    
 H    1.882600      -2.646200      0.6050000    
 H   -1.888900       3.523700      -2.001700    
 H  -0.4400000       3.807000       2.033600    
 H    4.487700       1.353700     -0.7495000    
 H    4.235100      -2.404800       1.318000    
 H   -1.369800       4.888600      3.8000001E-03
 H    5.542700     -0.4072000      0.6436000    
 H   -3.484100     -1.8600000E-02   1.238000    
 H   -4.470700      -1.118100      0.3354000    
 H   -3.534700      -3.897100      -1.218700    


%chk=000031044-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031044

0 1
O -3.401323 -3.526027 1.301092
N -0.490057 -0.000040 0.184742
N -3.234790 -1.075009 0.507574
N -2.077096 -2.881609 1.582340
C 0.230379 -0.759615 -0.846846
C -0.900608 -0.772813 1.367713
C -0.817273 1.361570 0.018009
C 1.749126 -0.858245 -0.652646
C -0.184719 2.144402 -0.999132
C -1.786709 2.010961 0.847640
C 2.445780 0.008897 0.222669
C 2.480399 -1.833146 -1.378280
C -2.141168 -1.631478 1.134975
C -0.522416 3.499679 -1.182112
C -2.099970 3.373604 0.660961
C 3.848990 -0.093028 0.366903
C 3.881965 -1.933951 -1.239518
C -1.481547 4.133102 -0.357766
C 4.572503 -1.061918 -0.364799
H 0.008552 -0.318521 -1.837594
H -0.191689 -1.784299 -0.873023
H -0.086212 -1.455516 1.668547
H -1.070340 -0.086873 2.215955
H 0.597967 1.704497 -1.624690
H -2.301612 1.460431 1.642090
H 1.886578 0.759370 0.792226
H 1.950100 -2.520257 -2.050731
H -0.015163 4.069853 -1.969154
H -2.845363 3.839618 1.316150
H 4.375327 0.584483 1.048897
H 4.433311 -2.693980 -1.804803
H -1.734946 5.188158 -0.501797
H 5.659604 -1.140964 -0.252403
H -3.191267 -0.140722 0.107865
H -4.049970 -1.668442 0.362697
H -3.261642 -4.437671 1.657149


