%chk=000173978.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173978

1 1
 O   -1.391600       1.027300     -1.2200000E-02
 N   -2.267700      -1.055600      0.2253000    
 N    2.531600     -0.8160000      0.1598000    
 C   -3.313600     -0.1639000      0.1266000    
 C   -2.363100      -2.477200      0.3832000    
 C   -1.183600     -0.3175000      0.1396000    
 C   -2.773400       1.115700     -1.9300001E-02
 C   -4.691800     -0.3636000      0.1519000    
 C   -3.548200       2.260900     -0.1474000    
 C   -2.397100      -3.135300     -0.9817000    
 C   0.1117000     -0.8796000      0.2002000    
 C   -5.494300      0.7795000      2.4200000E-02
 C   -4.934800       2.059300     -0.1217000    
 C    1.310800     -0.2146000      0.1010000    
 C    3.799000     -0.2266000      6.0500000E-02
 C    4.953200      -1.013600      0.1458000    
 C    3.923100       1.155000     -0.1244000    
 C    6.214600     -0.4267000      4.7699999E-02
 C    5.184700       1.741800     -0.2227000    
 C    6.330500      0.9509000     -0.1366000    
 H   -1.549600      -2.872700      0.9977000    
 H   -3.283000      -2.718800      0.9283000    
 H   -5.141400      -1.343900      0.2610000    
 H   -3.113100       3.245800     -0.2598000    
 H   -1.482400      -2.928200      -1.546200    
 H   -2.494300      -4.220300     -0.8780000    
 H   -3.243100      -2.773200      -1.574800    
 H   0.1970000      -1.956300      0.3206000    
 H   -6.576500      0.6721000      3.7799999E-02
 H   -5.595900       2.917800     -0.2178000    
 H    1.297400      0.8595000     -3.0400001E-02
 H    2.523800      -1.822600      0.2884000    
 H    4.878800      -2.088900      0.2894000    
 H    3.070100       1.820500     -0.1991000    
 H    7.106800      -1.042400      0.1146000    
 H    5.276000       2.814600     -0.3662000    
 H    7.312700       1.407900     -0.2130000    


%chk=000173978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173978

1 1
O -1.256626 0.800347 0.001046
N -2.320353 -1.183562 0.242835
N 2.612478 -0.862660 0.138246
C -3.333257 -0.189680 0.130262
C -2.569210 -2.640866 0.366008
C -1.088834 -0.578542 0.150738
C -2.665791 1.047554 -0.012671
C -4.737668 -0.253187 0.149833
C -3.319003 2.272568 -0.141108
C -2.686016 -3.337699 -1.004273
C 0.195822 -1.157585 0.190195
C -5.425382 0.977445 0.021010
C -4.735579 2.211462 -0.121112
C 1.350740 -0.370869 0.104164
C 3.843512 -0.133463 0.049128
C 5.044462 -0.878876 0.159896
C 3.887019 1.270252 -0.143917
C 6.288470 -0.221232 0.080120
C 5.138088 1.915360 -0.220695
C 6.341238 1.178560 -0.109681
H -1.755535 -3.078908 0.969501
H -3.497392 -2.761900 0.950146
H -5.283075 -1.194802 0.256203
H -2.777478 3.214908 -0.249389
H -1.754003 -3.243930 -1.587982
H -2.889828 -4.411912 -0.854502
H -3.511357 -2.914585 -1.601701
H 0.262954 -2.245021 0.286625
H -6.519334 0.977354 0.030257
H -5.308697 3.137984 -0.218145
H 1.249198 0.712763 0.003722
H 2.725038 -1.877391 0.243397
H 5.010514 -1.965660 0.309407
H 2.975698 1.868563 -0.239411
H 7.212651 -0.800682 0.166472
H 5.173409 2.999060 -0.370410
H 7.306428 1.689931 -0.171915


