%chk=000258713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258713

0 1
S 3.144229 2.982772 -0.047289
N -0.401186 0.017554 -0.040691
N 1.382556 -1.518234 0.019597
N 3.769781 -0.803767 0.029530
N 1.644727 2.177290 -0.043039
N 4.141630 1.598314 -0.012800
N 3.154234 -3.062902 0.175425
C -1.407213 -1.078330 -0.032328
C -2.790030 -0.481832 -0.017465
C 0.939839 -0.243540 -0.009482
C 1.887196 0.883717 -0.016697
C -3.422854 -0.206462 1.203301
C -3.446386 -0.199975 -1.224276
C 3.363839 0.518879 0.002664
C 2.781731 -1.737246 0.061058
C -4.708402 0.341752 1.214453
C -4.731867 0.348228 -1.207600
C -5.364014 0.618952 0.010404
H -1.230399 -1.739060 0.852987
H -1.247852 -1.735385 -0.922938
H -0.737873 0.980984 -0.065682
H -2.914714 -0.419202 2.143368
H -2.956961 -0.407984 -2.175119
H -5.199788 0.553360 2.163447
H -5.241609 0.564827 -2.145687
H -6.366161 1.045434 0.021263
H 4.128926 -3.309983 0.079569
H 2.465923 -3.787263 0.047927


%chk=000258713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258713

0 1
S 3.116386 3.033043 -0.013940
N -0.376692 -0.024627 -0.025312
N 1.419513 -1.550590 0.018126
N 3.788654 -0.796346 0.039954
N 1.549974 2.134657 -0.026774
N 4.172279 1.591755 0.013527
N 3.198728 -3.052089 0.059119
C -1.398951 -1.094496 -0.025206
C -2.796492 -0.496624 -0.015465
C 0.960855 -0.284668 -0.003713
C 1.903400 0.837676 -0.004446
C -3.436748 -0.183119 1.210294
C -3.472478 -0.226577 -1.232235
C 3.340166 0.502659 0.017433
C 2.809993 -1.735680 0.040979
C -4.727314 0.391999 1.220569
C -4.763304 0.348318 -1.225269
C -5.393296 0.659003 0.001953
H -1.230647 -1.740677 0.857370
H -1.242337 -1.735110 -0.914256
H -0.670299 0.955948 -0.042580
H -2.924101 -0.392965 2.156846
H -2.987721 -0.470296 -2.185349
H -5.212870 0.627357 2.173843
H -5.276620 0.549871 -2.171726
H -6.395260 1.101872 0.008755
H 4.191948 -3.268907 0.073684
H 2.490536 -3.780489 0.057718


