%chk=000002220.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002220

0 1
 O   0.2638000       3.714100      -1.158800    
 N    1.026600       1.764700      -2.116500    
 C    3.581700       1.530400      0.7432000    
 C    2.389800       1.108100       1.608000    
 C    4.427900      0.3533000      0.2542000    
 C    1.542100       2.246600       2.179700    
 C    3.612200     -0.5850000     -0.5877000    
 C   0.4095000       1.771600       3.074800    
 C   -2.252600       2.777200     -0.6215000    
 C   -3.638500       2.146100     -0.4649000    
 C    3.427200      -1.881800     -0.2998000    
 C   -1.248600       1.849700      -1.305400    
 C    2.599300      -2.809600      -1.140500    
 C   -3.633300      0.9282000      0.4119000    
 C   -4.091400      -1.490500      0.8949000    
 C   -4.077300     -0.2742000      1.6400000E-02
 C    1.456900      -3.388400     -0.3589000    
 C  -0.9757000      -3.802300      8.4100001E-02
 C   0.1681000      -3.216700     -0.6906000    
 C   7.7000000E-02   2.550000      -1.503400    
 C   -3.186000      -2.562800      0.3632000    
 C   -1.878500      -2.728700      0.6176000    
 H    4.224400       2.202000       1.325500    
 H    3.220600       2.112500     -0.1132000    
 H    1.724100      0.4597000       1.025300    
 H    2.762700      0.4994000       2.441900    
 H    4.867000     -0.1670000       1.113800    
 H    5.260500      0.7332000     -0.3491000    
 H    1.124400       2.837400       1.357600    
 H    2.187400       2.920000       2.756100    
 H    3.159200     -0.1695000      -1.483900    
 H  -0.1586000       2.626000       3.455500    
 H  -0.2789000       1.124700       2.521300    
 H   0.7964000       1.209700       3.930700    
 H   -1.869600       3.076100      0.3632000    
 H   -2.359400       3.700300      -1.205600    
 H   -4.046100       1.914300      -1.456600    
 H   -4.311700       2.885900     -1.5400000E-02
 H    3.894300      -2.301700      0.5883000    
 H   -1.625400       1.536200      -2.285700    
 H   -1.070300      0.9523000     -0.7022000    
 H    3.238500      -3.632000      -1.483100    
 H    2.237600      -2.301000      -2.042600    
 H   -3.257600       1.053500       1.424400    
 H   -5.113700      -1.880600      0.9596000    
 H   -3.795700      -1.236200       1.920500    
 H   -4.463600     -0.3934000     -0.9933000    
 H    1.707400      -3.986100      0.5145000    
 H  -0.6148000      -4.404100      0.9266000    
 H   -1.531700      -4.480400     -0.5741000    
 H  -8.1900001E-02  -2.631400      -1.572700    
 H   -3.658000      -3.265800     -0.3220000    
 H   -1.410300      -2.022400       1.302600    
 H    1.955700       2.123200      -2.310400    
 H   0.8409000      0.8049000      -2.389900    


%chk=000002220-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002220

0 1
O 1.091431 2.121897 -1.655119
N 0.405972 1.495535 -3.775540
C 3.115303 1.620063 1.171916
C 2.066285 0.972634 2.102959
C 4.119464 0.595303 0.569525
C 1.021251 1.982323 2.628685
C 3.445138 -0.373980 -0.380561
C -0.030976 1.332902 3.553753
C -1.753120 2.738870 -1.037209
C -3.127862 2.438766 -0.372863
C 3.464024 -1.728372 -0.278624
C -1.294401 1.605328 -1.983232
C 2.714940 -2.673753 -1.210498
C -3.065556 1.248095 0.561897
C -3.576534 -1.141371 1.295949
C -3.727004 0.073667 0.390528
C 1.573721 -3.373605 -0.486699
C -0.896411 -3.796540 0.029781
C 0.255730 -3.185495 -0.756398
C 0.156958 1.775246 -2.439744
C -2.896131 -2.291113 0.563409
C -1.631212 -2.718677 0.813835
H 3.680739 2.392279 1.733655
H 2.592660 2.135570 0.342788
H 1.545486 0.162372 1.553836
H 2.577832 0.489152 2.963048
H 4.629522 0.038550 1.381628
H 4.903672 1.159887 0.022192
H 0.518690 2.455884 1.760465
H 1.537996 2.800139 3.172368
H 2.866340 0.096762 -1.191973
H -0.773518 2.070297 3.912933
H -0.577352 0.527979 3.023505
H 0.449109 0.877148 4.440608
H -0.978339 2.875434 -0.259120
H -1.813809 3.692069 -1.597761
H -3.894545 2.266280 -1.154662
H -3.441149 3.341011 0.190946
H 4.015895 -2.198251 0.551278
H -1.977188 1.526879 -2.852131
H -1.358699 0.643343 -1.435295
H 3.417572 -3.434482 -1.612253
H 2.316465 -2.107171 -2.073390
H -2.387691 1.353040 1.424782
H -4.576477 -1.467859 1.650155
H -2.985590 -0.866824 2.190033
H -4.393685 -0.044551 -0.479154
H 1.859297 -4.044404 0.339790
H -0.499094 -4.566828 0.720077
H -1.606975 -4.300619 -0.655068
H -0.032549 -2.493333 -1.563125
H -3.473010 -2.766806 -0.245979
H -1.045614 -2.227717 1.606892
H 1.363577 1.567704 -4.120122
H -0.336577 1.229044 -4.419093


