%chk=000001219.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001219

0 1
 O    4.625000      0.8734000      -1.895000    
 N   -2.283000     -8.3099999E-02  0.4326000    
 C  -0.8664000     -5.4000001E-03  0.7862000    
 C  -0.4338000      -1.284100       1.505900    
 C  -1.1400000E-02  0.2031000     -0.4714000    
 C    1.015500      -1.163800       1.978000    
 C    1.467900      4.6399999E-02 -0.2140000    
 C    1.949400     -0.6340000      0.9192000    
 C   -2.521600      -1.200100     -0.4809000    
 C   -2.729500       1.173100     -0.1688000    
 C   -4.006700      -1.299100     -0.8201000    
 C   -2.568900       2.322100      0.8234000    
 C    2.379300      0.5401000      -1.159900    
 C    3.333800     -0.7743000       1.101400    
 C    3.752400      0.3850000     -0.9721000    
 C    4.229400     -0.2697000      0.1593000    
 C   -4.284900      -2.467800      -1.752900    
 C   -3.046800       3.638000      0.2291000    
 H  -0.6740000      0.7939000       1.508400    
 H  -0.4699000      -2.160300      0.8485000    
 H   -1.079700      -1.492700       2.367500    
 H  -0.1649000       1.213400     -0.8683000    
 H  -0.2124000     -0.5087000      -1.274400    
 H    1.358400      -2.148600       2.317900    
 H    1.059300     -0.4850000       2.839200    
 H   -2.000400      -1.115800      -1.437600    
 H   -2.255100      -2.160000     -3.0700000E-02
 H   -2.252500       1.399400      -1.129100    
 H   -3.805800       1.149200     -0.3615000    
 H   -4.602700      -1.414600      9.3099996E-02
 H   -4.376300     -0.4189000      -1.353100    
 H   -3.127600       2.115900       1.744300    
 H   -1.525900       2.496300       1.099900    
 H    2.008200       1.048000      -2.047600    
 H    3.721300      -1.280000       1.982600    
 H    5.297900     -0.3911000      0.3146000    
 H   -3.740000      -2.358500      -2.696200    
 H   -3.989400      -3.416300      -1.293000    
 H   -5.353500      -2.523300      -1.983600    
 H   -2.476200       3.893900     -0.6696000    
 H   -4.106800       3.586100     -3.9500002E-02
 H   -2.921500       4.449600      0.9530000    
 H    4.122300       1.296000      -2.612400    


%chk=000001219-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001219

0 1
O 5.153874 0.514587 -1.816891
N -2.154577 0.070453 0.054992
C -0.715412 0.045296 0.433940
C -0.369048 -1.131361 1.375281
C 0.268483 0.035912 -0.773852
C 1.043926 -0.942763 1.970968
C 1.731874 -0.081344 -0.354991
C 2.097383 -0.581522 0.925588
C -2.617320 -1.014309 -0.843154
C -2.658172 1.421603 -0.297132
C -4.079645 -1.433718 -0.567106
C -3.053246 2.260230 0.940686
C 2.746533 0.289846 -1.274031
C 3.476057 -0.706756 1.239064
C 4.111020 0.159424 -0.936996
C 4.486123 -0.345587 0.328515
C -4.562725 -2.538584 -1.531617
C -3.533751 3.677875 0.561640
H -0.534927 0.976354 1.009593
H -0.411990 -2.089076 0.818561
H -1.124982 -1.180684 2.180055
H 0.126483 0.945656 -1.389662
H 0.013742 -0.825411 -1.425672
H 1.353274 -1.857616 2.512741
H 1.003293 -0.136029 2.733428
H -2.519289 -0.742818 -1.925354
H -1.973232 -1.900125 -0.685839
H -1.915448 1.997970 -0.903244
H -3.551758 1.305787 -0.939948
H -4.151222 -1.775669 0.482812
H -4.743467 -0.550680 -0.653762
H -3.844205 1.715672 1.490360
H -2.188469 2.332163 1.629369
H 2.458895 0.680122 -2.261168
H 3.764314 -1.096053 2.223689
H 5.547673 -0.443897 0.572995
H -4.515092 -2.199889 -2.584281
H -3.937110 -3.447348 -1.444107
H -5.607532 -2.828338 -1.317959
H -2.739940 4.243390 0.037141
H -4.413100 3.635355 -0.109169
H -3.822609 4.255953 1.458075
H 4.787822 0.853629 -2.671160


