%chk=000100640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100640

0 1
 O   -1.019200     -3.0000000E-03   1.290800    
 N    2.684200      4.6000001E-03 -0.5573000    
 C   0.8231000       1.215500      0.3695000    
 C   0.8279000      -1.213900      0.3692000    
 C   0.2051000     -5.0000002E-04  0.6785000    
 C    2.079900       1.170500     -0.2571000    
 C    2.084600      -1.163800     -0.2574000    
 C   0.2202000       2.449600      0.6691000    
 C   0.2300000      -2.450500      0.6685000    
 C    2.700300       2.377800     -0.5674000    
 C    2.709900      -2.368400     -0.5680000    
 C   0.8614000       3.642300      0.3485000    
 C   0.8760000      -3.640700      0.3474000    
 C    2.104000       3.606000     -0.2710000    
 C    2.118500      -3.599100     -0.2721000    
 C   -2.136400     -4.1999999E-03  0.4785000    
 C   -1.973800     -2.7999999E-03 -0.8968000    
 C   -3.394400     -5.7000001E-03   1.057300    
 C   -3.102100     -3.0000000E-03  -1.717100    
 C   -4.522700     -6.0999999E-03  0.2371000    
 C   -4.376500     -4.6999999E-03  -1.150100    
 H  -0.7476000       2.507500       1.160700    
 H  -0.7376000      -2.512500       1.160000    
 H    3.674500       2.375800      -1.053000    
 H    3.684100      -2.362300      -1.053600    
 H   0.3945000       4.594100      0.5827000    
 H   0.4129000      -4.594400      0.5812000    
 H    2.613300       4.531100     -0.5251000    
 H    2.631400      -4.521900     -0.5266000    
 H   -1.018200     -1.6000000E-03  -1.408500    
 H   -3.510200     -6.6000000E-03   2.137000    
 H   -2.989500     -1.9000000E-03  -2.797400    
 H   -5.515000     -7.3000002E-03  0.6785000    
 H   -5.254900     -4.9000001E-03  -1.788700    


%chk=000100640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100640

0 1
O -1.085617 -0.002505 1.182082
N 2.859467 0.004938 -0.475190
C 0.847804 1.235912 0.337330
C 0.852227 -1.233520 0.336889
C 0.198686 -0.000015 0.587258
C 2.204034 1.179062 -0.207338
C 2.208278 -1.171619 -0.207687
C 0.241472 2.513311 0.597436
C 0.250417 -2.513157 0.596472
C 2.885300 2.418134 -0.477599
C 2.893997 -2.408162 -0.478277
C 0.936760 3.686852 0.322587
C 0.949906 -3.684113 0.321280
C 2.268048 3.638598 -0.221731
C 2.281085 -3.630905 -0.222857
C -2.248259 -0.003719 0.361459
C -2.199267 -0.002494 -1.050738
C -3.478617 -0.006321 1.055692
C -3.414604 -0.003922 -1.772670
C -4.681027 -0.007707 0.317628
C -4.656463 -0.006507 -1.098141
H -0.767046 2.541218 1.021260
H -0.758037 -2.544759 1.020185
H 3.898386 2.351848 -0.885650
H 3.906868 -2.338134 -0.886234
H 0.472969 4.658576 0.523632
H 0.489564 -4.657561 0.521910
H 2.796658 4.575224 -0.430608
H 2.813069 -4.565563 -0.431988
H -1.238780 -0.000454 -1.575267
H -3.474511 -0.007215 2.149777
H -3.384358 -0.002992 -2.867856
H -5.638293 -0.009733 0.850458
H -5.592417 -0.007596 -1.666203


