%chk=000021025.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021025

0 1
 O    2.685700      -1.307100     -0.3688000    
 N   -3.258100      0.8666000     -4.2500000E-02
 C   0.3373000      -1.389900      6.3000001E-02
 C    1.499800      0.7277000      3.3399999E-02
 C   0.3349000      -2.877500     -6.8200000E-02
 C    2.752000       1.524900     -0.1299000    
 C  -0.8627000      0.6525000      0.4701000    
 C    1.516400     -0.6613000     -9.3400002E-02
 C  -0.8585000     -0.7297000      0.3461000    
 C   0.3042000       1.387900      0.3167000    
 C   -2.153100       1.365800      0.7752000    
 C  -0.5483000      -3.362600      -1.232500    
 C  -8.4100001E-02  -3.581200       1.235600    
 C    3.135900       2.284000       1.153500    
 C    2.673500       2.504900      -1.314800    
 C   -2.969000       1.057200      -1.463300    
 C   -4.505900       1.537800      0.3197000    
 H    1.334200      -3.256900     -0.3031000    
 H    3.595900      0.8589000     -0.3476000    
 H   -1.775500      -1.296000      0.4834000    
 H   0.2797000       2.469400      0.4189000    
 H   -2.370000       1.202300       1.839100    
 H   -2.033500       2.449200      0.6379000    
 H   -1.606900      -3.134600      -1.068200    
 H  -0.4585000      -4.447200      -1.357500    
 H  -0.2455000      -2.889700      -2.173500    
 H   0.5539000      -3.266600       2.069000    
 H   9.9999998E-03  -4.667800       1.132700    
 H   -1.122800      -3.363000       1.506100    
 H    2.399500       3.052000       1.413100    
 H    4.104300       2.781100       1.030000    
 H    3.217300       1.596100       2.002500    
 H    2.422400       1.976100      -2.241000    
 H    3.637000       3.004500      -1.464000    
 H    1.918000       3.281900      -1.156500    
 H    2.765600      -2.071100      0.2265000    
 H   -2.125200      0.4545000      -1.813000    
 H   -2.770000       2.107600      -1.707400    
 H   -3.824700      0.7327000      -2.067800    
 H   -5.343900       1.129800     -0.2564000    
 H   -4.461600       2.619100      0.1452000    
 H   -4.741600       1.368300       1.376300    


%chk=000021025-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021025

0 1
O 2.836633 -1.276768 -0.240806
N -3.316800 0.903000 -0.072293
C 0.370105 -1.400734 0.072559
C 1.599323 0.764177 0.061270
C 0.329890 -2.931660 -0.035710
C 2.909756 1.546715 -0.064543
C -0.853026 0.723891 0.384143
C 1.580578 -0.654274 -0.031743
C -0.830769 -0.684599 0.283869
C 0.367124 1.427229 0.265598
C -2.157970 1.461324 0.666520
C -0.509987 -3.391450 -1.257762
C -0.187057 -3.581219 1.276028
C 3.210165 2.360356 1.222372
C 2.896358 2.470351 -1.312211
C -3.214883 1.108067 -1.531415
C -4.606583 1.375193 0.466491
H 1.356787 -3.332946 -0.196826
H 3.723165 0.812181 -0.197565
H -1.786965 -1.216264 0.355660
H 0.359739 2.523050 0.332891
H -2.399534 1.382285 1.746370
H -2.014370 2.553581 0.454880
H -1.559595 -3.061553 -1.154932
H -0.506103 -4.494143 -1.343621
H -0.114506 -2.965594 -2.197293
H 0.432508 -3.283138 2.140676
H -0.174425 -4.684532 1.198636
H -1.225990 -3.266793 1.482691
H 2.430981 3.123567 1.407759
H 4.180275 2.884117 1.130260
H 3.255856 1.700768 2.107625
H 2.721263 1.888126 -2.234798
H 3.863734 2.997418 -1.413799
H 2.100552 3.235221 -1.237179
H 2.726088 -2.259190 -0.285576
H -2.264593 0.686376 -1.900015
H -3.251592 2.188878 -1.823981
H -4.045988 0.586271 -2.039043
H -5.435818 0.867166 -0.058203
H -4.759529 2.479796 0.356745
H -4.676695 1.126349 1.540870


