%chk=000247772.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247772

0 1
S -2.796263 0.572147 -1.381780
N -3.793063 -0.042638 2.570693
C 2.317654 0.033361 -0.540217
C 3.484249 -0.027713 0.455081
C 0.982779 0.273473 0.177248
C 4.819792 -0.267764 -0.261294
C -0.183802 0.333223 -0.821779
C 5.987774 -0.329958 0.733151
C -1.502254 0.573495 -0.096598
C 7.319903 -0.568813 0.025760
C -4.217747 1.372981 -0.583630
C -4.984841 0.386218 0.289331
C -4.319531 0.146596 1.559427
H 2.269842 -0.908158 -1.121095
H 2.497631 0.835801 -1.281619
H 3.305213 -0.830641 1.196208
H 3.533013 0.913068 1.036705
H 0.804111 -0.529567 0.918944
H 1.031612 1.214608 0.758459
H 5.001102 0.534345 -1.002251
H 4.773035 -1.208304 -0.843163
H -0.223458 -0.612567 -1.401236
H 0.003072 1.135154 -1.565791
H 6.037278 0.611237 1.314957
H 5.808855 -1.133814 1.473903
H -1.495034 1.533035 0.450515
H -1.707037 -0.221575 0.645663
H 7.546726 0.230644 -0.688664
H 7.318176 -1.513421 -0.529914
H 8.146943 -0.611985 0.743198
H -4.861256 1.740773 -1.410617
H -3.901993 2.266999 -0.014031
H -5.127307 -0.586206 -0.247587
H -6.017971 0.768064 0.480922


%chk=000247772-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247772

0 1
S -2.911652 0.655114 -1.455832
N -3.847235 -0.715874 2.364095
C 2.351411 0.022073 -0.537367
C 3.547396 0.039604 0.441233
C 1.009477 0.393305 0.134045
C 4.891870 -0.318828 -0.231302
C -0.181537 0.361256 -0.854401
C 6.088136 -0.307387 0.747744
C -1.505978 0.737198 -0.169756
C 7.429013 -0.656483 0.066265
C -4.348839 1.394364 -0.479138
C -5.179787 0.355066 0.317597
C -4.445142 -0.243510 1.445762
H 2.266126 -0.986307 -0.993399
H 2.550564 0.725784 -1.372487
H 3.352244 -0.671135 1.271419
H 3.627364 1.044999 0.905573
H 0.812218 -0.306160 0.972311
H 1.092010 1.405262 0.582490
H 5.090502 0.394631 -1.058594
H 4.812846 -1.322423 -0.699577
H -0.265681 -0.653813 -1.291609
H 0.012847 1.057059 -1.694626
H 6.161786 0.693441 1.220574
H 5.892227 -1.025303 1.570362
H -1.473642 1.771667 0.217597
H -1.742611 0.044738 0.653577
H 7.665284 0.066798 -0.737097
H 7.390804 -1.663443 -0.390851
H 8.266367 -0.644909 0.788214
H -4.999583 1.868143 -1.233017
H -3.951828 2.182687 0.182408
H -5.505791 -0.454207 -0.361411
H -6.093982 0.838691 0.718097


