%chk=000061117.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061117

0 1
 O    6.279900       1.047000      0.1393000    
 N  -0.8059000      0.4253000      -1.548700    
 C    1.853200      -1.019200     -0.7896000    
 C   0.5330000     -0.9813000     -1.7100001E-02
 C   5.0299998E-02  0.4495000     -0.3657000    
 C    1.434800     -0.7459000      -2.315300    
 C    2.469600      -2.430900     -0.6379000    
 C   0.6452000      -1.404200       1.459400    
 C    2.739400      0.1371000     -0.1702000    
 C   0.5984000       1.441300      0.6508000    
 C  -0.1413000     -0.4992000      -2.545500    
 C    2.594900      -2.882800      0.8213000    
 C    1.260700      -2.800200       1.561300    
 C    2.146100       1.244600      0.5669000    
 C   -2.179800      5.2200001E-02  -1.256700    
 C    4.132400      0.1129000     -0.3160000    
 C    2.964400       2.209700       1.163600    
 C   -2.790800      0.9862000     -0.2115000    
 C    4.925300       1.097000      0.2810000    
 C    4.348000       2.128600       1.023500    
 C   -4.209800      0.5962000      0.1172000    
 C   -5.253200       1.141900     -0.6155000    
 C   -4.448300     -0.3022000       1.146400    
 C   -6.565800      0.7810000     -0.3117000    
 C   -5.761000     -0.6632000       1.449900    
 C   -6.819700     -0.1215000      0.7209000    
 H  -0.1525000      -1.733800     -0.4315000    
 H   0.7398000      0.9387000      -1.069400    
 H    1.729300      -1.593800      -2.945600    
 H    1.982300      0.1246000      -2.700700    
 H    3.446400      -2.496600      -1.128500    
 H    1.828700      -3.157200      -1.157100    
 H  -0.3527000      -1.408500       1.914100    
 H    1.256800     -0.7252000       2.059800    
 H   0.2263000       1.265800       1.664200    
 H   0.3423000       2.470300      0.3678000    
 H  -0.2846000     -8.2000002E-02  -3.548700    
 H  -0.6288000      -1.483200      -2.541800    
 H    3.340900      -2.272100       1.342500    
 H    2.961200      -3.915600      0.8499000    
 H   0.5654000      -3.537600       1.141300    
 H    1.404900      -3.064400       2.615000    
 H   -2.769400      0.1103000      -2.180700    
 H   -2.249800     -0.9861000     -0.9078000    
 H    4.619200     -0.6710000     -0.8885000    
 H    2.528800       3.036100       1.718300    
 H   -2.768100       2.024700     -0.5683000    
 H   -2.216200      0.9795000      0.7225000    
 H    4.970600       2.889900       1.486700    
 H    6.675200       1.798700      0.6132000    
 H   -5.065400       1.844000      -1.422900    
 H   -3.630300     -0.7314000       1.718200    
 H   -7.390100       1.202200     -0.8797000    
 H   -5.958900      -1.366500       2.253500    
 H   -7.841800     -0.4029000      0.9572000    


%chk=000061117-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000061117

0 1
O 6.383847 0.846818 0.186311
N -0.819037 0.522507 -1.579696
C 1.874947 -1.015879 -0.811006
C 0.544683 -0.910458 -0.038634
C 0.203708 0.550990 -0.498761
C 1.416230 -0.732642 -2.341591
C 2.508698 -2.422091 -0.648051
C 0.635326 -1.318183 1.446687
C 2.751167 0.140854 -0.165109
C 0.625808 1.525174 0.608958
C -0.143242 -0.458990 -2.573741
C 2.593295 -2.854203 0.838660
C 1.214732 -2.754107 1.542196
C 2.169910 1.246930 0.592498
C -2.189914 0.085984 -1.231298
C 4.157412 0.070314 -0.262110
C 3.036006 2.168323 1.217613
C -2.887245 1.106493 -0.296565
C 4.995952 1.020233 0.363292
C 4.442723 2.071158 1.124593
C -4.283703 0.648436 0.094527
C -5.429731 1.121181 -0.594844
C -4.467436 -0.299649 1.135537
C -6.723147 0.661471 -0.255996
C -5.757245 -0.762500 1.478890
C -6.891637 -0.283553 0.782291
H -0.183043 -1.615192 -0.487924
H 1.014406 0.852248 -1.174704
H 1.660870 -1.624309 -2.953689
H 2.007921 0.101079 -2.764454
H 3.503266 -2.487686 -1.130439
H 1.856312 -3.139544 -1.188866
H -0.369698 -1.280922 1.913523
H 1.286158 -0.636147 2.023650
H 0.179814 1.339741 1.604091
H 0.444165 2.583351 0.340346
H -0.276051 -0.065943 -3.600152
H -0.670319 -1.437965 -2.529737
H 3.322074 -2.211082 1.369839
H 2.975806 -3.891550 0.901473
H 0.510464 -3.469035 1.066661
H 1.310359 -3.056586 2.603124
H -2.774202 -0.004175 -2.167517
H -2.210722 -0.923348 -0.743225
H 4.640534 -0.736694 -0.821090
H 2.598525 3.001817 1.780604
H -2.920227 2.082960 -0.813385
H -2.263087 1.236602 0.608435
H 5.085436 2.809382 1.621409
H 6.886753 1.557525 0.655939
H -5.306112 1.857090 -1.399326
H -3.592016 -0.670311 1.684734
H -7.597096 1.041652 -0.797489
H -5.879388 -1.491446 2.288488
H -7.893507 -0.639324 1.048128


