%chk=000042553.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042553

0 1
 O   0.3552000     -4.5100000E-02  -1.739700    
 N    3.481800       1.105500     -0.2315000    
 C    2.181000      -1.090100      0.2694000    
 C    1.262000      0.1438000      0.4221000    
 C    2.050700       1.405400      3.0000000E-03
 C    2.788300      -1.114600      -1.143100    
 C    3.350300     -0.9011000       1.253100    
 C  -4.6700001E-02  1.4200000E-02 -0.3543000    
 C    3.582100      0.1799000      -1.381100    
 C    4.041400      0.4423000      0.9663000    
 C  -0.9093000       1.266500     -0.1192000    
 C  -0.8569000      -1.263200     -7.4199997E-02
 C   -2.053400       1.442700     -0.8557000    
 C   -1.383600      -1.465000       1.176800    
 C  -0.4810000       2.159200      0.8329000    
 C   -1.013900      -2.152000      -1.109800    
 C   -2.820200       2.585200     -0.6262000    
 C   -2.114700      -2.630200       1.408500    
 C   -2.504700      0.4624000      -1.888300    
 C   -1.202800     -0.4888000       2.292700    
 C   -1.247800       3.301500       1.062300    
 C   -1.745100      -3.317200     -0.8780000    
 C   -2.417300       3.514500      0.3328000    
 C   -2.295400      -3.556200      0.3811000    
 H    1.670800      -2.031700      0.4930000    
 H    1.117400      0.2209000       1.496100    
 H    1.662700       1.912200     -0.8876000    
 H    2.068000       2.166700      0.7899000    
 H    2.082800      -1.326900      -1.946000    
 H    3.496200      -1.954400      -1.189700    
 H    4.068900      -1.722800       1.146900    
 H    2.988300     -0.9231000       2.287900    
 H    4.635500     -5.1899999E-02  -1.582500    
 H    3.213100      0.6785000      -2.286000    
 H    3.948700       1.105500       1.835600    
 H    5.118700      0.2845000      0.8318000    
 H   0.3455000      0.8495000      -2.119200    
 H   0.3051000       2.027700       1.558100    
 H  -0.6010000      -2.024200      -2.103800    
 H   -3.736400       2.765400      -1.182400    
 H   -2.551400      -2.835000       2.382500    
 H   -3.280700      0.9254000      -2.513500    
 H   -1.740300      0.1707000      -2.607100    
 H   -2.994200     -0.4000000      -1.430800    
 H   -1.712800     -0.8877000       3.183000    
 H  -0.1821000     -0.3847000       2.646200    
 H   -1.724800      0.4511000       2.133900    
 H  -0.9550000       4.009000       1.832900    
 H   -1.884400      -4.039700      -1.676900    
 H   -3.018800       4.399600      0.5179000    
 H   -2.864200      -4.463600      0.5615000    


%chk=000042553-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042553

0 1
O 0.241524 0.190781 -1.846119
N 3.658345 0.919384 -0.340574
C 2.165641 -1.089228 0.351747
C 1.313834 0.222145 0.407352
C 2.283455 1.398846 -0.027046
C 2.783718 -1.345616 -1.051285
C 3.339242 -0.925046 1.361088
C -0.058556 0.174093 -0.376393
C 3.609220 -0.076184 -1.457340
C 4.237586 0.271959 0.875697
C -0.975668 1.401820 -0.097958
C -0.776675 -1.175856 -0.111812
C -2.225899 1.563137 -0.789756
C -1.408941 -1.489399 1.134713
C -0.583695 2.411448 0.819509
C -0.764137 -2.156684 -1.136019
C -2.999636 2.725396 -0.532983
C -1.992964 -2.775718 1.290335
C -2.791352 0.546500 -1.769789
C -1.523309 -0.528317 2.310520
C -1.368198 3.557731 1.064200
C -1.348380 -3.427420 -0.961076
C -2.589653 3.720920 0.379254
C -1.968564 -3.745258 0.265928
H 1.543066 -1.949986 0.649063
H 1.056944 0.357226 1.476135
H 1.906076 1.940231 -0.915252
H 2.377734 2.150188 0.778470
H 1.997164 -1.554474 -1.791954
H 3.437396 -2.237581 -0.988063
H 3.921676 -1.865238 1.400368
H 2.946832 -0.741794 2.380652
H 4.650493 -0.334814 -1.723309
H 3.157144 0.425609 -2.332012
H 4.334772 1.045296 1.660069
H 5.257451 -0.069098 0.621092
H 0.503250 1.116412 -2.079119
H 0.348688 2.304042 1.378358
H -0.300741 -1.897468 -2.090670
H -3.951129 2.842991 -1.065977
H -2.480450 -3.013991 2.243791
H -3.626844 0.988069 -2.340613
H -2.023007 0.187213 -2.472031
H -3.176451 -0.344648 -1.240419
H -1.999603 -1.032458 3.169060
H -0.541916 -0.153501 2.651726
H -2.130901 0.358757 2.059192
H -1.025738 4.310526 1.782718
H -1.319890 -4.157874 -1.777355
H -3.214453 4.604522 0.550793
H -2.428902 -4.726991 0.424693


