%chk=000208459.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208459

0 1
N 4.060147 -0.058824 0.198828
N -1.569059 -0.429309 -0.244602
N -2.335953 0.448460 0.224303
C 2.659174 -0.073858 -0.001793
C 4.707384 1.273431 0.388854
C 4.876864 -1.001953 -0.621672
C 1.857190 1.013350 0.449618
C 2.023821 -1.225061 -0.548160
C 3.920660 2.065708 1.440206
C 4.251802 -2.400359 -0.546060
C 2.480265 2.281289 0.968198
C 2.826207 -2.370731 -1.103790
C 0.468878 0.923525 0.392367
C 0.633409 -1.295274 -0.598589
C -0.153177 -0.227138 -0.126262
C -3.758225 0.232737 0.079319
C -4.561272 0.913786 1.014657
C -4.348786 -0.533994 -0.941058
C -5.950349 0.817058 0.923590
C -5.740466 -0.615257 -1.021543
C -6.541242 0.056304 -0.092021
H 4.765912 1.843258 -0.564466
H 5.749502 1.103985 0.738435
H 5.906984 -1.020345 -0.202711
H 4.955010 -0.667206 -1.679393
H 4.416145 3.033413 1.637618
H 3.920619 1.511840 2.402074
H 4.234106 -2.744693 0.508985
H 4.873475 -3.126199 -1.100648
H 2.449974 3.048760 0.165695
H 1.875015 2.693798 1.801720
H 2.849337 -2.287384 -2.211200
H 2.322877 -3.334874 -0.884511
H -0.151187 1.750174 0.747339
H 0.140126 -2.179529 -1.007388
H -4.094107 1.508128 1.800109
H -3.719890 -1.059986 -1.660023
H -6.576806 1.338133 1.646028
H -6.202277 -1.206241 -1.811071
H -7.625389 -0.011923 -0.158281


%chk=000208459-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208459

0 1
N 4.047388 0.043896 -0.014861
N -1.592977 -0.454374 -0.298401
N -2.339421 0.499240 0.219585
C 2.652228 -0.048580 -0.085546
C 4.709512 1.255598 0.508683
C 4.908690 -0.942265 -0.697808
C 1.822819 0.993657 0.472815
C 2.027496 -1.186761 -0.706479
C 3.881213 1.904339 1.631382
C 4.276549 -2.345380 -0.678266
C 2.466718 2.221188 1.107273
C 2.878394 -2.289574 -1.325419
C 0.430632 0.877036 0.418858
C 0.628307 -1.265653 -0.741238
C -0.196292 -0.248807 -0.190084
C -3.748699 0.272717 0.096443
C -4.577564 1.284716 0.651581
C -4.346106 -0.861509 -0.527211
C -5.982196 1.170098 0.588164
C -5.748460 -0.968063 -0.586677
C -6.573801 0.043529 -0.031102
H 4.874284 1.995649 -0.307343
H 5.706635 0.960913 0.887362
H 5.887025 -0.954110 -0.181100
H 5.097621 -0.633523 -1.751098
H 4.388375 2.824547 1.974785
H 3.821766 1.208847 2.489480
H 4.197163 -2.694179 0.368428
H 4.932857 -3.049924 -1.221340
H 2.534493 3.037582 0.358063
H 1.823701 2.599423 1.922365
H 2.991781 -2.111613 -2.415182
H 2.363394 -3.261992 -1.221045
H -0.209578 1.656902 0.845640
H 0.135069 -2.129026 -1.203339
H -4.093309 2.146055 1.124225
H -3.691875 -1.630367 -0.949593
H -6.614306 1.954792 1.018975
H -6.208051 -1.840309 -1.066434
H -7.664778 -0.047717 -0.081843


