%chk=000060495.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060495

0 1
 O    1.162100      -2.244800       1.073100    
 N   -2.498900     -4.1000001E-02  0.4068000    
 C   -2.348500       1.237700     -0.2956000    
 C   -3.504500     -2.9500000E-02   1.470300    
 C   -1.198200     -0.4891000      0.9076000    
 C   -3.629500       1.995300     -0.6581000    
 C   -4.869900     -0.4582000      0.9254000    
 C   -4.785200       1.112100      -1.117200    
 C   -5.593100      0.5676000      5.8100000E-02
 C  -0.1905000     -0.7269000     -0.2335000    
 C  -0.7038000      -1.763200      -1.250600    
 C    1.112200      -1.212500      0.4061000    
 C   0.2911000      -2.031700      -2.372700    
 C    2.344500     -0.3957000      0.2655000    
 C    2.227000      0.9741000      0.1515000    
 C    3.568400      -1.032700      0.2535000    
 C    3.384600       1.741100      1.9700000E-02
 C    4.726100     -0.2657000      0.1218000    
 C    4.634200       1.121300      4.9999999E-03
 C    5.871900       1.941600     -0.1368000    
 H   -1.843200       1.056200      -1.251000    
 H   -1.712000       1.926900      0.2757000    
 H   -3.556500      0.9374000       1.985700    
 H   -3.247500     -0.7662000       2.243200    
 H  -0.7879000      0.2262000       1.633700    
 H   -1.326000      -1.436900       1.448400    
 H   -3.384200       2.697700      -1.465200    
 H   -3.946900       2.613600      0.1910000    
 H   -5.520700     -0.6983000       1.775900    
 H   -4.759600      -1.393300      0.3601000    
 H   6.0000003E-04  0.1920000     -0.7902000    
 H   -4.431700      0.2989000      -1.761400    
 H   -5.460800       1.725100      -1.726800    
 H   -5.924800       1.401400      0.6898000    
 H   -6.506100      0.1015000     -0.3328000    
 H   -1.640400      -1.419600      -1.704200    
 H  -0.9245000      -2.711700     -0.7454000    
 H  -0.1483000      -2.714500      -3.107000    
 H   0.5578000      -1.104800      -2.890400    
 H    1.208200      -2.495900      -1.997900    
 H    1.277200       1.495500      0.2012000    
 H    3.654700      -2.111800      0.3381000    
 H    3.301200       2.821900     -5.9799999E-02
 H    5.693800     -0.7602000      0.1119000    
 H    6.240100       2.239200      0.8500000    
 H    6.660200       1.381900     -0.6515000    
 H    5.682100       2.844100     -0.7276000    


%chk=000060495-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060495

0 1
O 1.379538 -2.662484 0.236987
N -2.224908 0.228805 0.439746
C -2.157059 1.523522 -0.266250
C -3.287660 0.045180 1.456154
C -0.901911 -0.334899 0.739953
C -3.523698 2.188078 -0.545841
C -4.607005 -0.499974 0.853109
C -4.612311 1.233994 -1.102731
C -5.414458 0.513985 0.010497
C -0.188918 -0.957665 -0.523642
C -1.034540 -2.090711 -1.143662
C 1.199462 -1.446729 -0.084528
C -0.520999 -2.547916 -2.525402
C 2.337717 -0.468505 0.019981
C 2.219770 0.908352 -0.307930
C 3.596589 -0.946304 0.481487
C 3.326700 1.775120 -0.179809
C 4.695128 -0.080335 0.606107
C 4.581803 1.299690 0.276742
C 5.776253 2.226094 0.408779
H -1.652073 1.351902 -1.240109
H -1.515788 2.255558 0.294735
H -3.490731 0.984139 2.023217
H -2.920243 -0.688150 2.198234
H -0.221742 0.430390 1.191132
H -1.018286 -1.148270 1.479539
H -3.337630 3.010710 -1.264247
H -3.909404 2.669217 0.374924
H -5.252172 -0.865819 1.679386
H -4.342939 -1.377651 0.231325
H -0.066156 -0.154995 -1.278203
H -4.145172 0.488257 -1.776595
H -5.323829 1.820715 -1.717173
H -5.842292 1.287920 0.682699
H -6.277465 -0.013241 -0.444026
H -2.074852 -1.721416 -1.219883
H -1.032654 -2.951680 -0.448476
H -1.174548 -3.332526 -2.949191
H -0.497205 -1.706246 -3.244718
H 0.498844 -2.966786 -2.452284
H 1.269039 1.314244 -0.668783
H 3.676350 -2.008732 0.735165
H 3.216954 2.834755 -0.439310
H 5.657013 -0.469432 0.962595
H 6.195020 2.195773 1.432080
H 6.589447 1.928548 -0.280257
H 5.507823 3.271618 0.181877


