%chk=000121810.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121810

0 1
 O    2.983000     -0.2694000     -7.0400000E-02
 N    7.822900     -0.4081000     -0.2197000    
 C   -3.253600      0.2280000      0.2098000    
 C   -4.510800     -0.6010000     -7.7799998E-02
 C   -1.950600     -0.5083000     -0.1079000    
 C   -5.852600      6.3299999E-02  0.2844000    
 C  -0.7316000      0.3640000      0.2027000    
 C   0.5741000     -0.3861000     -7.7399999E-02
 C   -7.002600     -0.9061000     -3.8999999E-03
 C   -6.078900       1.372500     -0.4722000    
 C    1.802200      0.4744000      0.1937000    
 C    4.152100      0.5023000      0.1719000    
 C    5.376700     -0.3511000     -0.1295000    
 C    6.669600      0.4258000      9.6299998E-02
 H   -3.256200      0.5218000       1.266600    
 H   -3.282600       1.152400     -0.3781000    
 H   -4.516400     -0.8678000      -1.143000    
 H   -4.430900      -1.547100      0.4739000    
 H   -1.939600     -0.7958000      -1.166100    
 H   -1.901600      -1.432900      0.4797000    
 H   -5.854300      0.2833000       1.359300    
 H  -0.7559000      0.6728000       1.254800    
 H  -0.7688000       1.276500     -0.4044000    
 H   0.6265000      -1.294500      0.5356000    
 H   0.5976000     -0.7273000      -1.120000    
 H   -6.877500      -1.837000      0.5591000    
 H   -7.963000     -0.4678000      0.2877000    
 H   -7.054000      -1.157400      -1.068900    
 H   -7.068800       1.784600     -0.2478000    
 H   -5.341900       2.129000     -0.1864000    
 H   -6.013100       1.222200      -1.555000    
 H    1.780100       1.363700     -0.4474000    
 H    1.802800      0.7988000       1.241100    
 H    4.168300      0.8253000       1.219500    
 H    4.145100       1.389500     -0.4720000    
 H    5.353000      -1.251000      0.4989000    
 H    5.320400     -0.7086000      -1.166000    
 H    6.689900       1.317200     -0.5397000    
 H    6.735600      0.7575000       1.138400    
 H    8.678500      0.1065000     -1.4700000E-02
 H    7.830500      -1.227700      0.3861000    


%chk=000121810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121810

0 1
O 3.018744 -0.212831 0.011795
N 7.898138 -0.518062 -0.330473
C -3.319380 0.258483 0.224905
C -4.552817 -0.605478 -0.123535
C -1.979798 -0.468862 -0.031931
C -5.922962 0.042247 0.215204
C -0.744447 0.399523 0.296260
C 0.593401 -0.324685 0.021561
C -7.070021 -0.972074 -0.009235
C -6.176641 1.332957 -0.601074
C 1.808696 0.553164 0.334643
C 4.247304 0.554787 0.244915
C 5.433710 -0.329210 -0.151359
C 6.790149 0.372090 0.069407
H -3.373886 0.559780 1.292536
H -3.334675 1.196464 -0.365902
H -4.533328 -0.855586 -1.206108
H -4.474364 -1.571085 0.419444
H -1.932617 -0.784674 -1.095034
H -1.944892 -1.400470 0.570395
H -5.909901 0.314277 1.293079
H -0.789032 0.709151 1.361660
H -0.788608 1.334036 -0.301930
H 0.656319 -1.250418 0.625777
H 0.646171 -0.633034 -1.040605
H -6.924120 -1.885157 0.598154
H -8.050542 -0.536322 0.259777
H -7.117555 -1.277876 -1.072639
H -7.165940 1.764649 -0.359291
H -5.414416 2.106684 -0.398985
H -6.160033 1.113661 -1.686713
H 1.780462 1.489363 -0.270184
H 1.818452 0.844019 1.410877
H 4.312710 0.850561 1.318114
H 4.232719 1.488637 -0.363980
H 5.390662 -1.263459 0.443691
H 5.344638 -0.617023 -1.213902
H 6.836880 1.280135 -0.563518
H 6.847668 0.718390 1.132769
H 8.821643 -0.074816 -0.332472
H 7.905109 -1.415535 0.165108


