%chk=000181238.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181238

0 1
N 4.520188 0.084945 -0.007721
C -1.853265 -0.184456 1.260975
C -1.849643 -0.176518 -1.265196
C -0.325240 1.383903 0.004995
C 0.133708 -1.098900 -0.002156
C -2.725725 -0.342214 -0.003871
C -1.201659 1.215962 1.267464
C -1.198005 1.223890 -1.261017
C -0.744280 -1.259486 1.260814
C -0.740661 -1.251538 -1.268602
C 0.734844 0.294040 0.003179
C 2.043065 0.572539 0.006296
C 3.136337 -0.461506 0.005331
H -2.487062 -0.304028 2.167350
H -2.480839 -0.290373 -2.174118
H 0.139374 2.395133 0.008827
H 0.922169 -1.883570 -0.003489
H -3.216024 -1.331025 -0.007682
H -3.537404 0.405591 -0.002685
H -0.586885 1.348572 2.174964
H -1.976839 2.000542 1.297945
H -1.973087 2.008670 -1.288826
H -0.580611 1.362159 -2.165893
H -1.188095 -2.269375 1.287141
H -0.121427 -1.168208 2.167952
H -0.115212 -1.154570 -2.173365
H -1.184391 -2.261237 -1.302551
H 2.385540 1.606510 0.010492
H 3.042320 -1.118637 0.902069
H 3.030720 -1.130703 -0.881098
H 4.679568 0.675773 0.803099
H 4.668022 0.665618 -0.828023


%chk=000181238-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181238

0 1
N 4.275214 -0.108144 -0.657630
C -1.959300 -0.261818 1.185632
C -1.730162 -0.100639 -1.339569
C -0.323829 1.393910 0.160950
C 0.166104 -1.086480 0.048799
C -2.719032 -0.348625 -0.167215
C -1.327228 1.149207 1.330266
C -1.095386 1.308572 -1.191578
C -0.837612 -1.336024 1.217548
C -0.607532 -1.172821 -1.304587
C 0.758618 0.313507 0.199564
C 2.077727 0.615135 0.369820
C 3.260412 -0.342556 0.407479
H -2.665555 -0.439531 2.020939
H -2.272662 -0.164564 -2.303827
H 0.139205 2.394246 0.267249
H 0.953630 -1.861604 0.071877
H -3.190752 -1.346285 -0.274054
H -3.533135 0.403540 -0.193718
H -0.800944 1.235172 2.301099
H -2.118818 1.925703 1.310188
H -1.884244 2.087552 -1.220594
H -0.403036 1.505418 -2.033804
H -1.278870 -2.348411 1.116718
H -0.303085 -1.301098 2.187027
H 0.092201 -1.020739 -2.149935
H -1.045446 -2.185680 -1.414093
H 2.350831 1.679781 0.468610
H 3.787025 -0.256335 1.378298
H 2.922657 -1.391182 0.331226
H 4.794436 0.768970 -0.530092
H 3.868068 -0.150676 -1.599993


